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

C26H22F2N10 — CID 137056094

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

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 137056094) has the molecular formula C26H22F2N10 and a molecular weight of 512.53 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137056094
• Molecular Formula: C26H22F2N10
• Molecular Weight: 512.53 g/mol
• Exact Mass: 512.20
• IUPAC Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine
• SMILES: Cc1cn(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)[nH]c23)cn1
• InChI: InChI=1S/C26H22F2N10/c1-15-11-38(14-32-15)20-2-4-30-24-22(20)33-25(34-24)21-19-7-18(10-31-23(19)36-35-21)17-6-16(8-29-9-17)12-37-5-3-26(27,28)13-37/h2,4,6-11,14H,3,5,12-13H2,1H3,(H,30,33,34)(H,31,35,36)
• InChIKey: HQRWTPXTHCGHTO-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 117.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.53
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine (CID 137056094) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine is Cc1cn(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)[nH]c23)cn1.

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

The InChIKey is HQRWTPXTHCGHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N10/c1-15-11-38(14-32-15)20-2-4-30-24-22(20)33-25(34-24)21-19-7-18(10-31-23(19)36-35-21)17-6-16(8-29-9-17)12-37-5-3-26(27,28)13-37/h2,4,6-11,14H,3,5,12-13H2,1H3,(H,30,33,34)(H,31,35,36).

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

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 512.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137056094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).