(6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C37H34BrN9O3 — CID 164948935

About (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164948935) has the molecular formula C37H34BrN9O3 and a molecular weight of 732.64 g/mol. Its IUPAC name is (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 164948935
• Molecular Formula: C37H34BrN9O3
• Molecular Weight: 732.64 g/mol
• Exact Mass: 731.20
• IUPAC Name: (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc5c(cnn5C5CNC5)c4)c(=O)n3C[C@@H]2C)ccc1Br
• InChI: InChI=1S/C37H34BrN9O3/c1-22-14-24(8-10-30(22)38)36(49)44-21-32-33(35(48)42-16-25-6-3-4-7-29(25)34-40-12-5-13-41-34)46(37(50)45(32)20-23(44)2)27-9-11-31-26(15-27)17-43-47(31)28-18-39-19-28/h3-15,17,23,28,39H,16,18-21H2,1-2H3,(H,42,48)/t23-/m0/s1
• InChIKey: AGJSSZBMNWVRLL-QHCPKHFHSA-N
• XLogP: 4.64
• TPSA: 131.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	732.64
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 164948935) is (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc5c(cnn5C5CNC5)c4)c(=O)n3C[C@@H]2C)ccc1Br.

What is the InChIKey of (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is AGJSSZBMNWVRLL-QHCPKHFHSA-N. The full InChI is InChI=1S/C37H34BrN9O3/c1-22-14-24(8-10-30(22)38)36(49)44-21-32-33(35(48)42-16-25-6-3-4-7-29(25)34-40-12-5-13-41-34)46(37(50)45(32)20-23(44)2)27-9-11-31-26(15-27)17-43-47(31)28-18-39-19-28/h3-15,17,23,28,39H,16,18-21H2,1-2H3,(H,42,48)/t23-/m0/s1.

What are the key properties of (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

(6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 732.64 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-[1-(azetidin-3-yl)indazol-5-yl]-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164948935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).