2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone

C31H32N8O2 — CID 153436808

IUPAC2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone
SMILESCC(=O)N1CCn2c(C3CN(CC(=O)c4ccccc4)C3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C31H32N8O2/c1-20(40)38-11-12-39-27(18-38)30(33-31(39)24-16-37(17-24)19-28(41)21-7-5-4-6-8-21)22-9-10-26-25(13-22)29(34-36(26)3)23-14-32-35(2)15-23/h4-10,13-15,24H,11-12,16-19H2,1-3H3
InChIKeyJKXNPZRETAUAEI-UHFFFAOYSA-N
MW548.65 g/mol
LogP3.48
Rot. Bonds6

About 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone

2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone (PubChem CID 153436808) has the molecular formula C31H32N8O2 and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone
PubChem CID153436808
Molecular FormulaC31H32N8O2
Molecular Weight548.65 g/mol
Exact Mass548.26
IUPAC Name2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone
SMILESCC(=O)N1CCn2c(C3CN(CC(=O)c4ccccc4)C3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1
InChIInChI=1S/C31H32N8O2/c1-20(40)38-11-12-39-27(18-38)30(33-31(39)24-16-37(17-24)19-28(41)21-7-5-4-6-8-21)22-9-10-26-25(13-22)29(34-36(26)3)23-14-32-35(2)15-23/h4-10,13-15,24H,11-12,16-19H2,1-3H3
InChIKeyJKXNPZRETAUAEI-UHFFFAOYSA-N
XLogP3.48
TPSA94.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.65
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone with MolForge

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

Launch Full Analysis

Related Compounds

Pf-05175157
CID 52934180
Pimitespib
CID 67501411
3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
CID 67501021
3-Cyclohexyl-1,8-dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10027595
[(7R)-4-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 24964576
1-[(3R)-3-[3-[1-(4-acetylphenyl)triazol-4-yl]-4-aminopyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
CID 137348686
(13R)-N-[1-[(4-aminophenyl)methyl]pyrazol-4-yl]-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 130338820
1-(4-Benzoylpiperazin-1-yl)-2-(5-pyrazol-1-ylpyrrolo[3,2-d]pyrimidin-7-yl)ethane-1,2-dione
CID 71716706
3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylindole-5-carboxamide
CID 162654034
3-(N-Benzoyl-5-indolyl)methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 10250898
3-[N-(2-tetrazol-5-yl-benzoyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 10367704
3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10670617

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone (CID 153436808) is 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone is CC(=O)N1CCn2c(C3CN(CC(=O)c4ccccc4)C3)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.
What is the InChIKey of 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone?
The InChIKey is JKXNPZRETAUAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8O2/c1-20(40)38-11-12-39-27(18-38)30(33-31(39)24-16-37(17-24)19-28(41)21-7-5-4-6-8-21)22-9-10-26-25(13-22)29(34-36(26)3)23-14-32-35(2)15-23/h4-10,13-15,24H,11-12,16-19H2,1-3H3.
What are the key properties of 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone?
2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone has a molecular weight of 548.65 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone is sourced from PubChem (CID 153436808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).