2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine

C23H22ClN9O — CID 87803689

IUPAC2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine
SMILESNC(=O)c1ccccc1N1CCN(c2cc(Cl)nc3nc[nH]c23)CC1.c1cnc2nc[nH]c2c1
InChIInChI=1S/C17H17ClN6O.C6H5N3/c18-14-9-13(15-17(22-14)21-10-20-15)24-7-5-23(6-8-24)12-4-2-1-3-11(12)16(19)25;1-2-5-6(7-3-1)9-4-8-5/h1-4,9-10H,5-8H2,(H2,19,25)(H,20,21,22);1-4H,(H,7,8,9)
InChIKeyZVZUNMGMDFSMGA-UHFFFAOYSA-N
MW475.94 g/mol
LogP2.99
Rot. Bonds3

About 2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine

2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine (PubChem CID 87803689) has the molecular formula C23H22ClN9O and a molecular weight of 475.94 g/mol. Its IUPAC name is 2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine
PubChem CID87803689
Molecular FormulaC23H22ClN9O
Molecular Weight475.94 g/mol
Exact Mass475.16
IUPAC Name2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine
SMILESNC(=O)c1ccccc1N1CCN(c2cc(Cl)nc3nc[nH]c23)CC1.c1cnc2nc[nH]c2c1
InChIInChI=1S/C17H17ClN6O.C6H5N3/c18-14-9-13(15-17(22-14)21-10-20-15)24-7-5-23(6-8-24)12-4-2-1-3-11(12)16(19)25;1-2-5-6(7-3-1)9-4-8-5/h1-4,9-10H,5-8H2,(H2,19,25)(H,20,21,22);1-4H,(H,7,8,9)
InChIKeyZVZUNMGMDFSMGA-UHFFFAOYSA-N
XLogP2.99
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine (CID 87803689) is 2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine is NC(=O)c1ccccc1N1CCN(c2cc(Cl)nc3nc[nH]c23)CC1.c1cnc2nc[nH]c2c1.
What is the InChIKey of 2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine?
The InChIKey is ZVZUNMGMDFSMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O.C6H5N3/c18-14-9-13(15-17(22-14)21-10-20-15)24-7-5-23(6-8-24)12-4-2-1-3-11(12)16(19)25;1-2-5-6(7-3-1)9-4-8-5/h1-4,9-10H,5-8H2,(H2,19,25)(H,20,21,22);1-4H,(H,7,8,9).
What are the key properties of 2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine?
2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine has a molecular weight of 475.94 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl]benzamide;1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 87803689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).