N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C24H26F2N6O4 — CID 118369515

About N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 118369515) has the molecular formula C24H26F2N6O4 and a molecular weight of 500.51 g/mol. Its IUPAC name is N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
• PubChem CID: 118369515
• Molecular Formula: C24H26F2N6O4
• Molecular Weight: 500.51 g/mol
• Exact Mass: 500.20
• IUPAC Name: N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
• SMILES: O=C(N[C@@H](c1ccc(OCF)c(F)c1)c1cnco1)N1CCc2cnc(NC3CCOCC3)nc2C1
• InChI: InChI=1S/C24H26F2N6O4/c25-13-35-20-2-1-15(9-18(20)26)22(21-11-27-14-36-21)31-24(33)32-6-3-16-10-28-23(30-19(16)12-32)29-17-4-7-34-8-5-17/h1-2,9-11,14,17,22H,3-8,12-13H2,(H,31,33)(H,28,29,30)/t22-/m0/s1
• InChIKey: QXKXUCFPWYRVAL-QFIPXVFZSA-N
• XLogP: 3.36
• TPSA: 114.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.51
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 118369515) is N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

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

The canonical SMILES for N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is O=C(N[C@@H](c1ccc(OCF)c(F)c1)c1cnco1)N1CCc2cnc(NC3CCOCC3)nc2C1.

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

The InChIKey is QXKXUCFPWYRVAL-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26F2N6O4/c25-13-35-20-2-1-15(9-18(20)26)22(21-11-27-14-36-21)31-24(33)32-6-3-16-10-28-23(30-19(16)12-32)29-17-4-7-34-8-5-17/h1-2,9-11,14,17,22H,3-8,12-13H2,(H,31,33)(H,28,29,30)/t22-/m0/s1.

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

N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 500.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(1,3-oxazol-5-yl)methyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 118369515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).