7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane

C25H25ClF4N5O2P — CID 175942464

About 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane

7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane (PubChem CID 175942464) has the molecular formula C25H25ClF4N5O2P and a molecular weight of 569.93 g/mol. Its IUPAC name is 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane.

Molecular Properties

• Compound Name: 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane
• PubChem CID: 175942464
• Molecular Formula: C25H25ClF4N5O2P
• Molecular Weight: 569.93 g/mol
• Exact Mass: 569.14
• IUPAC Name: 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C3(C(F)(F)F)CC3)c3nc(Cl)c(F)cc23)[C@@H](C)C1.P
• InChI: InChI=1S/C25H22ClF4N5O2.H3P/c1-3-19(36)33-10-11-34(14(2)13-33)21-15-12-17(27)20(26)31-22(15)35(23(37)32-21)18-7-5-4-6-16(18)24(8-9-24)25(28,29)30;/h3-7,12,14H,1,8-11,13H2,2H3;1H3/t14-;/m0./s1
• InChIKey: UZRJTRBPRRTLMO-UQKRIMTDSA-N
• XLogP: 4.45
• TPSA: 71.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.93
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane?

The IUPAC name of 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane (CID 175942464) is 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane.

What is the SMILES notation for 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane?

The canonical SMILES for 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane is C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C3(C(F)(F)F)CC3)c3nc(Cl)c(F)cc23)[C@@H](C)C1.P.

What is the InChIKey of 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane?

The InChIKey is UZRJTRBPRRTLMO-UQKRIMTDSA-N. The full InChI is InChI=1S/C25H22ClF4N5O2.H3P/c1-3-19(36)33-10-11-34(14(2)13-33)21-15-12-17(27)20(26)31-22(15)35(23(37)32-21)18-7-5-4-6-16(18)24(8-9-24)25(28,29)30;/h3-7,12,14H,1,8-11,13H2,2H3;1H3/t14-;/m0./s1.

What are the key properties of 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane?

7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane has a molecular weight of 569.93 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrido[2,3-d]pyrimidin-2-one;phosphane is sourced from PubChem (CID 175942464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).