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

C31H34BrN7O2 — CID 170401961

About (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-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-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 170401961) has the molecular formula C31H34BrN7O2 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-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-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-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 170401961
• Molecular Formula: C31H34BrN7O2
• Molecular Weight: 616.56 g/mol
• Exact Mass: 615.20
• IUPAC Name: (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
• SMILES: Cc1cc(C)n(-c2nc3c(c(=O)n2-c2ccc(N4CC[C@H](C)C4)nc2)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)n1
• InChI: InChI=1S/C31H34BrN7O2/c1-18-10-11-36(16-18)28-9-7-24(15-33-28)38-30(41)25-14-21(4)37(29(40)23-6-8-26(32)19(2)12-23)17-27(25)34-31(38)39-22(5)13-20(3)35-39/h6-9,12-13,15,18,21H,10-11,14,16-17H2,1-5H3/t18-,21+/m0/s1
• InChIKey: WSORRICJDKVZDA-GHTZIAJQSA-N
• XLogP: 4.93
• TPSA: 89.15 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.56
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-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-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 170401961) is (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-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-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-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-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is Cc1cc(C)n(-c2nc3c(c(=O)n2-c2ccc(N4CC[C@H](C)C4)nc2)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-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?

The InChIKey is WSORRICJDKVZDA-GHTZIAJQSA-N. The full InChI is InChI=1S/C31H34BrN7O2/c1-18-10-11-36(16-18)28-9-7-24(15-33-28)38-30(41)25-14-21(4)37(29(40)23-6-8-26(32)19(2)12-23)17-27(25)34-31(38)39-22(5)13-20(3)35-39/h6-9,12-13,15,18,21H,10-11,14,16-17H2,1-5H3/t18-,21+/m0/s1.

What are the key properties of (6R)-7-(4-bromo-3-methylbenzoyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-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-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 616.56 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 170401961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).