4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C31H34F4N4O2 — CID 176933445

About 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 176933445) has the molecular formula C31H34F4N4O2 and a molecular weight of 570.63 g/mol. Its IUPAC name is 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 176933445
• Molecular Formula: C31H34F4N4O2
• Molecular Weight: 570.63 g/mol
• Exact Mass: 570.26
• IUPAC Name: 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• SMILES: CC(C)C(=O)N1CCC=C(c2cc(-c3ccc(C4CCNCC4(F)F)cc3F)c3cc(C(=O)N(C)C)[nH]c3c2F)C1
• InChI: InChI=1S/C31H34F4N4O2/c1-17(2)29(40)39-11-5-6-19(15-39)21-13-22(23-14-26(30(41)38(3)4)37-28(23)27(21)33)20-8-7-18(12-25(20)32)24-9-10-36-16-31(24,34)35/h6-8,12-14,17,24,36-37H,5,9-11,15-16H2,1-4H3
• InChIKey: HRWMCNXBGXWBAO-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 68.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.63
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 176933445) is 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CC(C)C(=O)N1CCC=C(c2cc(-c3ccc(C4CCNCC4(F)F)cc3F)c3cc(C(=O)N(C)C)[nH]c3c2F)C1.

What is the InChIKey of 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The InChIKey is HRWMCNXBGXWBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F4N4O2/c1-17(2)29(40)39-11-5-6-19(15-39)21-13-22(23-14-26(30(41)38(3)4)37-28(23)27(21)33)20-8-7-18(12-25(20)32)24-9-10-36-16-31(24,34)35/h6-8,12-14,17,24,36-37H,5,9-11,15-16H2,1-4H3.

What are the key properties of 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 570.63 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176933445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).