N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C24H23ClF2N4O2 — CID 158669708

About N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 158669708) has the molecular formula C24H23ClF2N4O2 and a molecular weight of 472.92 g/mol. Its IUPAC name is N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
• PubChem CID: 158669708
• Molecular Formula: C24H23ClF2N4O2
• Molecular Weight: 472.92 g/mol
• Exact Mass: 472.15
• IUPAC Name: N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
• SMILES: Cc1cc(F)ccc1Cc1ncc2c(n1)CN(C(=O)N[C@H](CO)c1ccc(Cl)c(F)c1)CC2
• InChI: InChI=1S/C24H23ClF2N4O2/c1-14-8-18(26)4-2-15(14)10-23-28-11-17-6-7-31(12-21(17)29-23)24(33)30-22(13-32)16-3-5-19(25)20(27)9-16/h2-5,8-9,11,22,32H,6-7,10,12-13H2,1H3,(H,30,33)/t22-/m1/s1
• InChIKey: IDUIBAJZZABDPB-JOCHJYFZSA-N
• XLogP: 4.11
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.92
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

The IUPAC name of N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 158669708) is N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

What is the SMILES notation for N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

The canonical SMILES for N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is Cc1cc(F)ccc1Cc1ncc2c(n1)CN(C(=O)N[C@H](CO)c1ccc(Cl)c(F)c1)CC2.

What is the InChIKey of N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

The InChIKey is IDUIBAJZZABDPB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23ClF2N4O2/c1-14-8-18(26)4-2-15(14)10-23-28-11-17-6-7-31(12-21(17)29-23)24(33)30-22(13-32)16-3-5-19(25)20(27)9-16/h2-5,8-9,11,22,32H,6-7,10,12-13H2,1H3,(H,30,33)/t22-/m1/s1.

What are the key properties of N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?

N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 472.92 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-[(4-fluoro-2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 158669708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).