(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C32H34BrN5O3 — CID 170402110

IUPAC(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cc(C)n(-c2nc3c(c(=O)n2-c2ccc(OC4CC(C)C4)cc2)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)n1
InChIInChI=1S/C32H34BrN5O3/c1-18-12-26(13-18)41-25-9-7-24(8-10-25)37-31(40)27-16-21(4)36(30(39)23-6-11-28(33)19(2)14-23)17-29(27)34-32(37)38-22(5)15-20(3)35-38/h6-11,14-15,18,21,26H,12-13,16-17H2,1-5H3/t18?,21-,26?/m1/s1
InChIKeyRDFJLIJRPNPNMT-DRMRFRMASA-N
MW616.56 g/mol
LogP5.87
Rot. Bonds5

About (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 170402110) has the molecular formula C32H34BrN5O3 and a molecular weight of 616.56 g/mol. Its IUPAC name is (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID170402110
Molecular FormulaC32H34BrN5O3
Molecular Weight616.56 g/mol
Exact Mass615.18
IUPAC Name(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cc(C)n(-c2nc3c(c(=O)n2-c2ccc(OC4CC(C)C4)cc2)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)n1
InChIInChI=1S/C32H34BrN5O3/c1-18-12-26(13-18)41-25-9-7-24(8-10-25)37-31(40)27-16-21(4)36(30(39)23-6-11-28(33)19(2)14-23)17-29(27)34-32(37)38-22(5)15-20(3)35-38/h6-11,14-15,18,21,26H,12-13,16-17H2,1-5H3/t18?,21-,26?/m1/s1
InChIKeyRDFJLIJRPNPNMT-DRMRFRMASA-N
XLogP5.87
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.56
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 170402110) is (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is Cc1cc(C)n(-c2nc3c(c(=O)n2-c2ccc(OC4CC(C)C4)cc2)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)n1.
What is the InChIKey of (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RDFJLIJRPNPNMT-DRMRFRMASA-N. The full InChI is InChI=1S/C32H34BrN5O3/c1-18-12-26(13-18)41-25-9-7-24(8-10-25)37-31(40)27-16-21(4)36(30(39)23-6-11-28(33)19(2)14-23)17-29(27)34-32(37)38-22(5)15-20(3)35-38/h6-11,14-15,18,21,26H,12-13,16-17H2,1-5H3/t18?,21-,26?/m1/s1.
What are the key properties of (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 616.56 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[4-(3-methylcyclobutyl)oxyphenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 170402110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).