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

C29H25N9O — CID 137041684

IUPACN-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3n2)c1)C1CCCCC1
InChIInChI=1S/C29H25N9O/c39-29(18-4-2-1-3-5-18)33-20-14-19(15-31-16-20)22-6-7-23-25(34-22)26(38-37-23)28-35-24-21(10-13-32-27(24)36-28)17-8-11-30-12-9-17/h6-16,18H,1-5H2,(H,33,39)(H,37,38)(H,32,35,36)
InChIKeyWOKPNAGVNBXHHR-UHFFFAOYSA-N
MW515.58 g/mol
LogP5.54
Rot. Bonds5

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

N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 137041684) has the molecular formula C29H25N9O and a molecular weight of 515.58 g/mol. Its IUPAC name is N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID137041684
Molecular FormulaC29H25N9O
Molecular Weight515.58 g/mol
Exact Mass515.22
IUPAC NameN-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3n2)c1)C1CCCCC1
InChIInChI=1S/C29H25N9O/c39-29(18-4-2-1-3-5-18)33-20-14-19(15-31-16-20)22-6-7-23-25(34-22)26(38-37-23)28-35-24-21(10-13-32-27(24)36-28)17-8-11-30-12-9-17/h6-16,18H,1-5H2,(H,33,39)(H,37,38)(H,32,35,36)
InChIKeyWOKPNAGVNBXHHR-UHFFFAOYSA-N
XLogP5.54
TPSA138.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.58
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 137041684) is N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3n2)c1)C1CCCCC1.
What is the InChIKey of N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is WOKPNAGVNBXHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N9O/c39-29(18-4-2-1-3-5-18)33-20-14-19(15-31-16-20)22-6-7-23-25(34-22)26(38-37-23)28-35-24-21(10-13-32-27(24)36-28)17-8-11-30-12-9-17/h6-16,18H,1-5H2,(H,33,39)(H,37,38)(H,32,35,36).
What are the key properties of N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 515.58 g/mol, XLogP of 5.54, 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-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 137041684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).