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

C29H25ClN8OS — CID 137042630

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

N-[5-[3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide (PubChem CID 137042630) 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)-1H-imidazo[4,5-b]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)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide
• PubChem CID: 137042630
• Molecular Formula: C29H25ClN8OS
• Molecular Weight: 569.09 g/mol
• Exact Mass: 568.16
• IUPAC Name: N-[5-[3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide
• SMILES: O=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(Cl)s6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C29H25ClN8OS/c30-23-9-8-22(40-23)19-10-11-32-28-25(19)35-29(36-28)27-26-21(37-38-27)7-6-20(34-26)17-13-18(15-31-14-17)33-24(39)12-16-4-2-1-3-5-16/h6-11,13-16H,1-5,12H2,(H,33,39)(H,37,38)(H,32,35,36)
• InChIKey: CSYYFUYDIUWZAQ-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)-1H-imidazo[4,5-b]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)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide (CID 137042630) is N-[5-[3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]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)-1H-imidazo[4,5-b]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)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(Cl)s6)c5[nH]4)c3n2)c1.

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

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

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

N-[5-[3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]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)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide is sourced from PubChem (CID 137042630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).