N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C25H25F4N5O2 — CID 158764033

About N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 158764033) has the molecular formula C25H25F4N5O2 and a molecular weight of 503.50 g/mol. Its IUPAC name is N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
• PubChem CID: 158764033
• Molecular Formula: C25H25F4N5O2
• Molecular Weight: 503.50 g/mol
• Exact Mass: 503.19
• IUPAC Name: N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
• SMILES: CC(C)Cc1ncc2c(n1)CN(C(=O)N[C@@H](c1ccc(C(F)(F)F)c(F)c1)c1cccc(=O)[nH]1)CC2
• InChI: InChI=1S/C25H25F4N5O2/c1-14(2)10-21-30-12-16-8-9-34(13-20(16)31-21)24(36)33-23(19-4-3-5-22(35)32-19)15-6-7-17(18(26)11-15)25(27,28)29/h3-7,11-12,14,23H,8-10,13H2,1-2H3,(H,32,35)(H,33,36)/t23-/m0/s1
• InChIKey: IPAMBVOCWHADBM-QHCPKHFHSA-N
• XLogP: 4.38
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.50
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

The IUPAC name of N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 158764033) is N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

What is the SMILES notation for N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

The canonical SMILES for N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CC(C)Cc1ncc2c(n1)CN(C(=O)N[C@@H](c1ccc(C(F)(F)F)c(F)c1)c1cccc(=O)[nH]1)CC2.

What is the InChIKey of N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

The InChIKey is IPAMBVOCWHADBM-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25F4N5O2/c1-14(2)10-21-30-12-16-8-9-34(13-20(16)31-21)24(36)33-23(19-4-3-5-22(35)32-19)15-6-7-17(18(26)11-15)25(27,28)29/h3-7,11-12,14,23H,8-10,13H2,1-2H3,(H,32,35)(H,33,36)/t23-/m0/s1.

What are the key properties of N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 503.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 158764033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).