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]cyclobutanecarboxamide

C26H19ClN8OS — CID 137042383

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]cyclobutanecarboxamide

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]cyclobutanecarboxamide (PubChem CID 137042383) has the molecular formula C26H19ClN8OS and a molecular weight of 527.01 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]cyclobutanecarboxamide.

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]cyclobutanecarboxamide
• PubChem CID: 137042383
• Molecular Formula: C26H19ClN8OS
• Molecular Weight: 527.01 g/mol
• Exact Mass: 526.11
• 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]cyclobutanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(Cl)s6)c5[nH]4)c3n2)c1)C1CCC1
• InChI: InChI=1S/C26H19ClN8OS/c27-20-7-6-19(37-20)16-8-9-29-24-21(16)32-25(33-24)23-22-18(34-35-23)5-4-17(31-22)14-10-15(12-28-11-14)30-26(36)13-2-1-3-13/h4-13H,1-3H2,(H,30,36)(H,34,35)(H,29,32,33)
• InChIKey: HYVQNADGKXDNNH-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.01
LogP ≤ 5	6.08
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]cyclobutanecarboxamide?

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]cyclobutanecarboxamide (CID 137042383) 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]cyclobutanecarboxamide.

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]cyclobutanecarboxamide?

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]cyclobutanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(Cl)s6)c5[nH]4)c3n2)c1)C1CCC1.

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]cyclobutanecarboxamide?

The InChIKey is HYVQNADGKXDNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN8OS/c27-20-7-6-19(37-20)16-8-9-29-24-21(16)32-25(33-24)23-22-18(34-35-23)5-4-17(31-22)14-10-15(12-28-11-14)30-26(36)13-2-1-3-13/h4-13H,1-3H2,(H,30,36)(H,34,35)(H,29,32,33).

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]cyclobutanecarboxamide?

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]cyclobutanecarboxamide has a molecular weight of 527.01 g/mol, XLogP of 6.08, 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-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137042383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).