N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide

C29H19N9O — CID 137041480

IUPACN-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)ccnc5[nH]4)c3n2)c1)c1ccccc1
InChIInChI=1S/C29H19N9O/c39-29(17-6-2-1-3-7-17)33-19-14-18(15-30-16-19)21-9-10-23-25(34-21)26(38-37-23)28-35-24-20(11-13-32-27(24)36-28)22-8-4-5-12-31-22/h1-16H,(H,33,39)(H,37,38)(H,32,35,36)
InChIKeyCUJDFYPQKIJMEK-UHFFFAOYSA-N
MW509.53 g/mol
LogP5.27
Rot. Bonds5

About N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 137041480) has the molecular formula C29H19N9O and a molecular weight of 509.53 g/mol. Its IUPAC name is N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
PubChem CID137041480
Molecular FormulaC29H19N9O
Molecular Weight509.53 g/mol
Exact Mass509.17
IUPAC NameN-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)ccnc5[nH]4)c3n2)c1)c1ccccc1
InChIInChI=1S/C29H19N9O/c39-29(17-6-2-1-3-7-17)33-19-14-18(15-30-16-19)21-9-10-23-25(34-21)26(38-37-23)28-35-24-20(11-13-32-27(24)36-28)22-8-4-5-12-31-22/h1-16H,(H,33,39)(H,37,38)(H,32,35,36)
InChIKeyCUJDFYPQKIJMEK-UHFFFAOYSA-N
XLogP5.27
TPSA138.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.53
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 137041480) is N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)ccnc5[nH]4)c3n2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The InChIKey is CUJDFYPQKIJMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N9O/c39-29(17-6-2-1-3-7-17)33-19-14-18(15-30-16-19)21-9-10-23-25(34-21)26(38-37-23)28-35-24-20(11-13-32-27(24)36-28)22-8-4-5-12-31-22/h1-16H,(H,33,39)(H,37,38)(H,32,35,36).
What are the key properties of N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 509.53 g/mol, XLogP of 5.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137041480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).