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

C26H19F3N8S — CID 137312361

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

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 137312361) has the molecular formula C26H19F3N8S and a molecular weight of 532.56 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine
• PubChem CID: 137312361
• Molecular Formula: C26H19F3N8S
• Molecular Weight: 532.56 g/mol
• Exact Mass: 532.14
• IUPAC Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine
• SMILES: Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)nc45)nc23)s1
• InChI: InChI=1S/C26H19F3N8S/c27-20-4-3-19(38-20)23-21-17(5-7-31-23)33-25(34-21)24-22-18(35-36-24)2-1-16(32-22)15-9-14(10-30-11-15)12-37-8-6-26(28,29)13-37/h1-5,7,9-11H,6,8,12-13H2,(H,33,34)(H,35,36)
• InChIKey: VEVOHIKMQNNYQK-UHFFFAOYSA-N
• XLogP: 5.67
• 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	532.56
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine (CID 137312361) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)nc45)nc23)s1.

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

The InChIKey is VEVOHIKMQNNYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N8S/c27-20-4-3-19(38-20)23-21-17(5-7-31-23)33-25(34-21)24-22-18(35-36-24)2-1-16(32-22)15-9-14(10-30-11-15)12-37-8-6-26(28,29)13-37/h1-5,7,9-11H,6,8,12-13H2,(H,33,34)(H,35,36).

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

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 532.56 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137312361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).