N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

C25H33N7O2 — CID 66932154

IUPACN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccc(-n3cccn3)cc2)n2c1CN(C)CCC2)C(C)(C)C
InChIInChI=1S/C25H33N7O2/c1-25(2,3)21(24(34)26-4)29-23(33)20-19-16-30(5)13-7-14-31(19)22(28-20)17-8-10-18(11-9-17)32-15-6-12-27-32/h6,8-12,15,21H,7,13-14,16H2,1-5H3,(H,26,34)(H,29,33)
InChIKeyYLIYOWNRLNRXCH-UHFFFAOYSA-N
MW463.59 g/mol
LogP2.46
Rot. Bonds5

About N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (PubChem CID 66932154) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
PubChem CID66932154
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccc(-n3cccn3)cc2)n2c1CN(C)CCC2)C(C)(C)C
InChIInChI=1S/C25H33N7O2/c1-25(2,3)21(24(34)26-4)29-23(33)20-19-16-30(5)13-7-14-31(19)22(28-20)17-8-10-18(11-9-17)32-15-6-12-27-32/h6,8-12,15,21H,7,13-14,16H2,1-5H3,(H,26,34)(H,29,33)
InChIKeyYLIYOWNRLNRXCH-UHFFFAOYSA-N
XLogP2.46
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide with MolForge

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71288499
4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288531
4-N-cyclopentyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288554
4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288555
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 71288581
5-(Azetidine-1-carbonyl)-3-methyl-3H[1,2,3]triazole-4-carboxylic acid [2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-amide
CID 71288598
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71288645
5-(Azetidine-1-carbonyl)-2,3-dimethyl-3H-imidazole-4-carboxylic acid [2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-amide
CID 71288703
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 51000508

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (CID 66932154) is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.
What is the SMILES notation for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The canonical SMILES for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is CNC(=O)C(NC(=O)c1nc(-c2ccc(-n3cccn3)cc2)n2c1CN(C)CCC2)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The InChIKey is YLIYOWNRLNRXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-25(2,3)21(24(34)26-4)29-23(33)20-19-16-30(5)13-7-14-31(19)22(28-20)17-8-10-18(11-9-17)32-15-6-12-27-32/h6,8-12,15,21H,7,13-14,16H2,1-5H3,(H,26,34)(H,29,33).
What are the key properties of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-8-methyl-3-(4-pyrazol-1-ylphenyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is sourced from PubChem (CID 66932154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).