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

C29H25ClN8OS — CID 137109817

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

N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide (PubChem CID 137109817) has the molecular formula C29H25ClN8OS and a molecular weight of 569.09 g/mol. Its IUPAC name is N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide
• PubChem CID: 137109817
• Molecular Formula: C29H25ClN8OS
• Molecular Weight: 569.09 g/mol
• Exact Mass: 568.16
• IUPAC Name: N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide
• SMILES: O=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cncc5[nH]4)c3n2)c1
• InChI: InChI=1S/C29H25ClN8OS/c30-24-9-8-23(40-24)19-14-32-15-22-26(19)36-29(35-22)28-27-21(37-38-28)7-6-20(34-27)17-11-18(13-31-12-17)33-25(39)10-16-4-2-1-3-5-16/h6-9,11-16H,1-5,10H2,(H,33,39)(H,35,36)(H,37,38)
• InChIKey: USCYJSWYNSJQPN-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.09
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide?

The IUPAC name of N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide (CID 137109817) is N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide.

What is the SMILES notation for N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide?

The canonical SMILES for N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(Cl)s6)cncc5[nH]4)c3n2)c1.

What is the InChIKey of N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide?

The InChIKey is USCYJSWYNSJQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN8OS/c30-24-9-8-23(40-24)19-14-32-15-22-26(19)36-29(35-22)28-27-21(37-38-28)7-6-20(34-27)17-11-18(13-31-12-17)33-25(39)10-16-4-2-1-3-5-16/h6-9,11-16H,1-5,10H2,(H,33,39)(H,35,36)(H,37,38).

What are the key properties of N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide?

N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide has a molecular weight of 569.09 g/mol, XLogP of 7.25, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide is sourced from PubChem (CID 137109817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).