5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide

C23H20F2N6O2 — CID 89450929

About 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide (PubChem CID 89450929) has the molecular formula C23H20F2N6O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide
• PubChem CID: 89450929
• Molecular Formula: C23H20F2N6O2
• Molecular Weight: 450.45 g/mol
• Exact Mass: 450.16
• IUPAC Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(=O)[nH]c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12
• InChI: InChI=1S/C23H20F2N6O2/c24-23(25)5-6-31(13-23)12-14-7-16(10-26-9-14)15-1-3-19-18(8-15)21(30-29-19)22(33)28-17-2-4-20(32)27-11-17/h1-4,7-11H,5-6,12-13H2,(H,27,32)(H,28,33)(H,29,30)
• InChIKey: CBBFPNRUNOGSSN-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 106.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.45
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide (CID 89450929) is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(=O)[nH]c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.

What is the InChIKey of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide?

The InChIKey is CBBFPNRUNOGSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O2/c24-23(25)5-6-31(13-23)12-14-7-16(10-26-9-14)15-1-3-19-18(8-15)21(30-29-19)22(33)28-17-2-4-20(32)27-11-17/h1-4,7-11H,5-6,12-13H2,(H,27,32)(H,28,33)(H,29,30).

What are the key properties of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide?

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-oxo-1H-pyridin-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).