1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C95H94ClF5N24O9 — CID 163646412

About 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 163646412) has the molecular formula C95H94ClF5N24O9 and a molecular weight of 1846.40 g/mol. Its IUPAC name is 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 163646412
• Molecular Formula: C95H94ClF5N24O9
• Molecular Weight: 1846.40 g/mol
• Exact Mass: 1844.72
• IUPAC Name: 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C4CC4)nc(N)nc3C3CC3)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N)nc3C3CC3)c3nc(-c4c(O)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N)nc3C3CC3)c3nc(-c4c(O)cccc4F)c(F)cc23)C[C@H]1C
• InChI: InChI=1S/C32H32ClFN8O3.C32H32F2N8O3.C31H30F2N8O3/c1-4-23(44)40-13-16(3)41(14-15(40)2)29-19-12-20(33)27(24-21(34)6-5-7-22(24)43)36-30(19)42(32(45)39-29)28-25(17-8-9-17)37-31(35)38-26(28)18-10-11-18;1-4-23(44)40-13-16(3)41(14-15(40)2)29-19-12-21(34)27(24-20(33)6-5-7-22(24)43)36-30(19)42(32(45)39-29)28-25(17-8-9-17)37-31(35)38-26(28)18-10-11-18;1-3-22(43)39-11-12-40(15(2)14-39)28-18-13-20(33)26(23-19(32)5-4-6-21(23)42)35-29(18)41(31(44)38-28)27-24(16-7-8-16)36-30(34)37-25(27)17-9-10-17/h2*4-7,12,15-18,43H,1,8-11,13-14H2,2-3H3,(H2,35,37,38);3-6,13,15-17,42H,1,7-12,14H2,2H3,(H2,34,36,37)/t2*15-,16+;15-/m110/s1
• InChIKey: IIOYEKNGHNXXIP-PUHDBJJISA-N
• XLogP: 12.64
• TPSA: 430.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1846.40
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 163646412) is 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C4CC4)nc(N)nc3C3CC3)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N)nc3C3CC3)c3nc(-c4c(O)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N)nc3C3CC3)c3nc(-c4c(O)cccc4F)c(F)cc23)C[C@H]1C.

What is the InChIKey of 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is IIOYEKNGHNXXIP-PUHDBJJISA-N. The full InChI is InChI=1S/C32H32ClFN8O3.C32H32F2N8O3.C31H30F2N8O3/c1-4-23(44)40-13-16(3)41(14-15(40)2)29-19-12-20(33)27(24-21(34)6-5-7-22(24)43)36-30(19)42(32(45)39-29)28-25(17-8-9-17)37-31(35)38-26(28)18-10-11-18;1-4-23(44)40-13-16(3)41(14-15(40)2)29-19-12-21(34)27(24-20(33)6-5-7-22(24)43)36-30(19)42(32(45)39-29)28-25(17-8-9-17)37-31(35)38-26(28)18-10-11-18;1-3-22(43)39-11-12-40(15(2)14-39)28-18-13-20(33)26(23-19(32)5-4-6-21(23)42)35-29(18)41(31(44)38-28)27-24(16-7-8-16)36-30(34)37-25(27)17-9-10-17/h2*4-7,12,15-18,43H,1,8-11,13-14H2,2-3H3,(H2,35,37,38);3-6,13,15-17,42H,1,7-12,14H2,2H3,(H2,34,36,37)/t2*15-,16+;15-/m110/s1.

What are the key properties of 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1846.40 g/mol, XLogP of 12.64, 18 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one;1-(2-amino-4,6-dicyclopropylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 163646412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).