N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide

C52H61ClF6N8O5 — CID 144791487

About N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide

N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide (PubChem CID 144791487) has the molecular formula C52H61ClF6N8O5 and a molecular weight of 1027.55 g/mol. Its IUPAC name is N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide
• PubChem CID: 144791487
• Molecular Formula: C52H61ClF6N8O5
• Molecular Weight: 1027.55 g/mol
• Exact Mass: 1026.44
• IUPAC Name: N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide
• SMILES: Cc1cc(Cl)c(CNC(=O)c2c(C)n(CC3CCN(CCF)CC3)c3ccccc23)c(=O)[nH]1.Cc1cc(OC(F)F)c(CNC(=O)c2c(C)n(CC3CCN(CCC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1
• InChI: InChI=1S/C27H31F5N4O3.C25H30ClFN4O2/c1-16-13-22(39-26(28)29)20(24(37)34-16)14-33-25(38)23-17(2)36(21-6-4-3-5-19(21)23)15-18-7-10-35(11-8-18)12-9-27(30,31)32;1-16-13-21(26)20(24(32)29-16)14-28-25(33)23-17(2)31(22-6-4-3-5-19(22)23)15-18-7-10-30(11-8-18)12-9-27/h3-6,13,18,26H,7-12,14-15H2,1-2H3,(H,33,38)(H,34,37);3-6,13,18H,7-12,14-15H2,1-2H3,(H,28,33)(H,29,32)
• InChIKey: CELVPWWRBOYGIT-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 149.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.55
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide?

The IUPAC name of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide (CID 144791487) is N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide.

What is the SMILES notation for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide?

The canonical SMILES for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide is Cc1cc(Cl)c(CNC(=O)c2c(C)n(CC3CCN(CCF)CC3)c3ccccc23)c(=O)[nH]1.Cc1cc(OC(F)F)c(CNC(=O)c2c(C)n(CC3CCN(CCC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1.

What is the InChIKey of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide?

The InChIKey is CELVPWWRBOYGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F5N4O3.C25H30ClFN4O2/c1-16-13-22(39-26(28)29)20(24(37)34-16)14-33-25(38)23-17(2)36(21-6-4-3-5-19(21)23)15-18-7-10-35(11-8-18)12-9-27(30,31)32;1-16-13-21(26)20(24(32)29-16)14-28-25(33)23-17(2)31(22-6-4-3-5-19(22)23)15-18-7-10-30(11-8-18)12-9-27/h3-6,13,18,26H,7-12,14-15H2,1-2H3,(H,33,38)(H,34,37);3-6,13,18H,7-12,14-15H2,1-2H3,(H,28,33)(H,29,32).

What are the key properties of N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide?

N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide has a molecular weight of 1027.55 g/mol, XLogP of 9.35, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide;N-[[4-(difluoromethoxy)-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-2-methyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]indole-3-carboxamide is sourced from PubChem (CID 144791487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).