7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one

C110H104Cl3F17N24O4 — CID 163888645

About 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one

7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 163888645) has the molecular formula C110H104Cl3F17N24O4 and a molecular weight of 2255.53 g/mol. Its IUPAC name is 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 163888645
• Molecular Formula: C110H104Cl3F17N24O4
• Molecular Weight: 2255.53 g/mol
• Exact Mass: 2252.75
• IUPAC Name: 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one
• SMILES: Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCCCC2)c2cc(F)c(-c3c(F)c(F)c(F)c(N)c3Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCCCC2)c2cc(F)c(-c3c(F)c(N)c(F)c(F)c3F)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCC[C@H](C)C2)c2cc(F)c(-c3c(F)c(N)c(F)c(F)c3Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCC[C@H](C)C2)c2cc(F)c(-c3c(N)c(F)c(F)c(Cl)c3F)nc21
• InChI: InChI=1S/2C28H27ClF4N6O.C27H25ClF4N6O.C27H25F5N6O/c1-12(2)23-25(14(4)7-8-35-23)39-27-15(26(37-28(39)40)38-9-5-6-13(3)11-38)10-16(30)24(36-27)17-19(31)18(29)20(32)21(33)22(17)34;1-12(2)23-25(14(4)7-8-35-23)39-27-15(26(37-28(39)40)38-9-5-6-13(3)11-38)10-16(30)24(36-27)17-18(29)20(32)21(33)22(34)19(17)31;1-12(2)22-24(13(3)7-8-34-22)38-26-14(25(36-27(38)39)37-9-5-4-6-10-37)11-15(29)23(35-26)16-17(28)21(33)20(32)19(31)18(16)30;1-12(2)22-24(13(3)7-8-34-22)38-26-14(25(36-27(38)39)37-9-5-4-6-10-37)11-15(28)23(35-26)16-17(29)19(31)20(32)21(33)18(16)30/h2*7-8,10,12-13H,5-6,9,11,34H2,1-4H3;2*7-8,11-12H,4-6,9-10,33H2,1-3H3/t2*13-;;/m00../s1
• InChIKey: PZQMSVPKONBKIP-IZHYLRJQSA-N
• XLogP: 24.20
• TPSA: 359.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2255.53
LogP ≤ 5	24.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one (CID 163888645) is 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one is Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCCCC2)c2cc(F)c(-c3c(F)c(F)c(F)c(N)c3Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCCCC2)c2cc(F)c(-c3c(F)c(N)c(F)c(F)c3F)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCC[C@H](C)C2)c2cc(F)c(-c3c(F)c(N)c(F)c(F)c3Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCC[C@H](C)C2)c2cc(F)c(-c3c(N)c(F)c(F)c(Cl)c3F)nc21.

What is the InChIKey of 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one?

The InChIKey is PZQMSVPKONBKIP-IZHYLRJQSA-N. The full InChI is InChI=1S/2C28H27ClF4N6O.C27H25ClF4N6O.C27H25F5N6O/c1-12(2)23-25(14(4)7-8-35-23)39-27-15(26(37-28(39)40)38-9-5-6-13(3)11-38)10-16(30)24(36-27)17-19(31)18(29)20(32)21(33)22(17)34;1-12(2)23-25(14(4)7-8-35-23)39-27-15(26(37-28(39)40)38-9-5-6-13(3)11-38)10-16(30)24(36-27)17-18(29)20(32)21(33)22(34)19(17)31;1-12(2)22-24(13(3)7-8-34-22)38-26-14(25(36-27(38)39)37-9-5-4-6-10-37)11-15(29)23(35-26)16-17(28)21(33)20(32)19(31)18(16)30;1-12(2)22-24(13(3)7-8-34-22)38-26-14(25(36-27(38)39)37-9-5-4-6-10-37)11-15(28)23(35-26)16-17(29)19(31)20(32)21(33)18(16)30/h2*7-8,10,12-13H,5-6,9,11,34H2,1-4H3;2*7-8,11-12H,4-6,9-10,33H2,1-3H3/t2*13-;;/m00../s1.

What are the key properties of 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one?

7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2255.53 g/mol, XLogP of 24.20, 16 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-5-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(5-amino-2-chloro-3,4,6-trifluorophenyl)-6-fluoro-4-[(3S)-3-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2-chloro-4,5,6-trifluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one;7-(3-amino-2,4,5,6-tetrafluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 163888645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).