N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide

C33H28N6O2 — CID 58345263

IUPACN-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESCCOc1cccc(-c2cnc3c(c2)nc(-c2cccnc2N)n3-c2ccc(CNC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C33H28N6O2/c1-2-41-27-11-6-10-24(18-27)25-19-29-32(36-21-25)39(31(38-29)28-12-7-17-35-30(28)34)26-15-13-22(14-16-26)20-37-33(40)23-8-4-3-5-9-23/h3-19,21H,2,20H2,1H3,(H2,34,35)(H,37,40)
InChIKeyOGQPABPNSOWXRK-UHFFFAOYSA-N
MW540.63 g/mol
LogP6.06
Rot. Bonds8

About N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide

N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (PubChem CID 58345263) has the molecular formula C33H28N6O2 and a molecular weight of 540.63 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
PubChem CID58345263
Molecular FormulaC33H28N6O2
Molecular Weight540.63 g/mol
Exact Mass540.23
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESCCOc1cccc(-c2cnc3c(c2)nc(-c2cccnc2N)n3-c2ccc(CNC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C33H28N6O2/c1-2-41-27-11-6-10-24(18-27)25-19-29-32(36-21-25)39(31(38-29)28-12-7-17-35-30(28)34)26-15-13-22(14-16-26)20-37-33(40)23-8-4-3-5-9-23/h3-19,21H,2,20H2,1H3,(H2,34,35)(H,37,40)
InChIKeyOGQPABPNSOWXRK-UHFFFAOYSA-N
XLogP6.06
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (CID 58345263) is N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is CCOc1cccc(-c2cnc3c(c2)nc(-c2cccnc2N)n3-c2ccc(CNC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The InChIKey is OGQPABPNSOWXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N6O2/c1-2-41-27-11-6-10-24(18-27)25-19-29-32(36-21-25)39(31(38-29)28-12-7-17-35-30(28)34)26-15-13-22(14-16-26)20-37-33(40)23-8-4-3-5-9-23/h3-19,21H,2,20H2,1H3,(H2,34,35)(H,37,40).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide has a molecular weight of 540.63 g/mol, XLogP of 6.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)-6-(3-ethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 58345263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).