N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C33H30F3N7O — CID 59407167

About N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 59407167) has the molecular formula C33H30F3N7O and a molecular weight of 597.65 g/mol. Its IUPAC name is N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 59407167
• Molecular Formula: C33H30F3N7O
• Molecular Weight: 597.65 g/mol
• Exact Mass: 597.25
• IUPAC Name: N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: CCc1cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)cc(-c2cnn(CC(F)(F)F)c2)c1
• InChI: InChI=1S/C33H30F3N7O/c1-3-22-13-24(25-17-38-43(18-25)20-33(34,35)36)15-26(14-22)39-32(44)42-12-10-29-28(19-42)30(27-9-5-4-7-21(27)2)41-31(40-29)23-8-6-11-37-16-23/h4-9,11,13-18H,3,10,12,19-20H2,1-2H3,(H,39,44)
• InChIKey: JGNWYUDNHOUCMQ-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.65
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 59407167) is N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4ccccc4C)c3C2)cc(-c2cnn(CC(F)(F)F)c2)c1.

What is the InChIKey of N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The InChIKey is JGNWYUDNHOUCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N7O/c1-3-22-13-24(25-17-38-43(18-25)20-33(34,35)36)15-26(14-22)39-32(44)42-12-10-29-28(19-42)30(27-9-5-4-7-21(27)2)41-31(40-29)23-8-6-11-37-16-23/h4-9,11,13-18H,3,10,12,19-20H2,1-2H3,(H,39,44).

What are the key properties of N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 597.65 g/mol, XLogP of 7.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-ethyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59407167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).