5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C27H29F2N7O — CID 89450914

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450914) has the molecular formula C27H29F2N7O and a molecular weight of 505.57 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89450914
• Molecular Formula: C27H29F2N7O
• Molecular Weight: 505.57 g/mol
• Exact Mass: 505.24
• IUPAC Name: 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CN(C)Cc1cncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)c1
• InChI: InChI=1S/C27H29F2N7O/c1-35(2)16-19-10-22(15-31-13-19)32-26(37)25-23-11-20(3-4-24(23)33-34-25)21-9-18(12-30-14-21)17-36-7-5-27(28,29)6-8-36/h3-4,9-15H,5-8,16-17H2,1-2H3,(H,32,37)(H,33,34)
• InChIKey: FVPOHYFZPARQAZ-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.57
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450914) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)Cc1cncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)c1.

What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is FVPOHYFZPARQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O/c1-35(2)16-19-10-22(15-31-13-19)32-26(37)25-23-11-20(3-4-24(23)33-34-25)21-9-18(12-30-14-21)17-36-7-5-27(28,29)6-8-36/h3-4,9-15H,5-8,16-17H2,1-2H3,(H,32,37)(H,33,34).

What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 505.57 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).