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CAS 677338-12-4 N-(2,3-Dihydro-7,8-dimethoxyimidazo[1,2-c]quinazolin-5-yl)-3-pyridinecarboxamide molecular structure lightbox
CAS RN: 677338-12-4

N-(2,3-Dihydro-7,8-dimethoxyimidazo[1,2-c]quinazolin-5-yl)-3-pyridinecarboxamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251028 5mg / 25mg / 50mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS677338-12-4
  • Purity/Analytical Methods: >99.0%
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677338-12-4 / N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide

Standard CAS: 677338-12-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
677338-12-4
Multi CAS
Yes
Molecular Formula
C18H17N5O3
Molecular Weight
351.400000
Exact Mass
351.133139
InChI
InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10,20H,8-9H2,1-2H3
InChIKey
FCKJZIRDZMVDEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
95.46
TPSA
90.63

LogP / Solubility

WLOGP
1.62
MLOGP
1.44
XLogP3
1.3
Consensus LogP
1.45
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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