2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C92H94F4N18O9 — CID 159225485

About 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 159225485) has the molecular formula C92H94F4N18O9 and a molecular weight of 1671.87 g/mol. Its IUPAC name is 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 159225485
• Molecular Formula: C92H94F4N18O9
• Molecular Weight: 1671.87 g/mol
• Exact Mass: 1670.74
• IUPAC Name: 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4=CCN(C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCC(F)(F)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCCC(F)(F)C4)cc3)ncc2c1=O
• InChI: InChI=1S/2C31H32F2N6O3.C30H30N6O3/c1-42-37-29(41)26-18-39(24-11-8-21-4-2-5-22(21)16-24)28-25(27(26)40)17-34-30(36-28)35-23-9-6-20(7-10-23)12-15-38-14-3-13-31(32,33)19-38;1-42-37-29(41)26-19-39(24-10-7-21-3-2-4-22(21)17-24)28-25(27(26)40)18-34-30(36-28)35-23-8-5-20(6-9-23)11-14-38-15-12-31(32,33)13-16-38;1-35-14-12-21(13-15-35)20-6-9-23(10-7-20)32-30-31-17-25-27(37)26(29(38)34-39-2)18-36(28(25)33-30)24-11-8-19-4-3-5-22(19)16-24/h6-11,16-18H,2-5,12-15,19H2,1H3,(H,37,41)(H,34,35,36);5-10,17-19H,2-4,11-16H2,1H3,(H,37,41)(H,34,35,36);6-12,16-18H,3-5,13-15H2,1-2H3,(H,34,38)(H,31,32,33)
• InChIKey: KSFPMLDVEPOEMS-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 304.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1671.87
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 159225485) is 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4=CCN(C)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCC(F)(F)CC4)cc3)ncc2c1=O.CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCCC(F)(F)C4)cc3)ncc2c1=O.

What is the InChIKey of 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is KSFPMLDVEPOEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H32F2N6O3.C30H30N6O3/c1-42-37-29(41)26-18-39(24-11-8-21-4-2-5-22(21)16-24)28-25(27(26)40)17-34-30(36-28)35-23-9-6-20(7-10-23)12-15-38-14-3-13-31(32,33)19-38;1-42-37-29(41)26-19-39(24-10-7-21-3-2-4-22(21)17-24)28-25(27(26)40)18-34-30(36-28)35-23-8-5-20(6-9-23)11-14-38-15-12-31(32,33)13-16-38;1-35-14-12-21(13-15-35)20-6-9-23(10-7-20)32-30-31-17-25-27(37)26(29(38)34-39-2)18-36(28(25)33-30)24-11-8-19-4-3-5-22(19)16-24/h6-11,16-18H,2-5,12-15,19H2,1H3,(H,37,41)(H,34,35,36);5-10,17-19H,2-4,11-16H2,1H3,(H,37,41)(H,34,35,36);6-12,16-18H,3-5,13-15H2,1-2H3,(H,34,38)(H,31,32,33).

What are the key properties of 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1671.87 g/mol, XLogP of 13.18, 22 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(3,3-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;2-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 159225485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).