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

C26H19ClF2N8S — CID 137311889

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

3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137311889) has the molecular formula C26H19ClF2N8S and a molecular weight of 549.01 g/mol. Its IUPAC name is 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137311889
• Molecular Formula: C26H19ClF2N8S
• Molecular Weight: 549.01 g/mol
• Exact Mass: 548.11
• IUPAC Name: 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccc(Cl)s7)cncc6[nH]5)c4n3)c2)C1
• InChI: InChI=1S/C26H19ClF2N8S/c27-21-4-3-20(38-21)16-10-31-11-19-22(16)34-25(33-19)24-23-18(35-36-24)2-1-17(32-23)15-7-14(8-30-9-15)12-37-6-5-26(28,29)13-37/h1-4,7-11H,5-6,12-13H2,(H,33,34)(H,35,36)
• InChIKey: OXOMXTXMLFXXOC-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.01
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 137311889) is 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is FC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccc(Cl)s7)cncc6[nH]5)c4n3)c2)C1.

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

The InChIKey is OXOMXTXMLFXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF2N8S/c27-21-4-3-20(38-21)16-10-31-11-19-22(16)34-25(33-19)24-23-18(35-36-24)2-1-17(32-23)15-7-14(8-30-9-15)12-37-6-5-26(28,29)13-37/h1-4,7-11H,5-6,12-13H2,(H,33,34)(H,35,36).

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

3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 549.01 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(5-chlorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137311889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).