3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide

C25H26N6O2 — CID 123489225

IUPAC3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide
SMILESCC1CC=C(NC(=O)c2cn(C)nc2C(=O)N2CCC2)C=Cn2cc(-c3ccccc3)nc21
InChIInChI=1S/C25H26N6O2/c1-17-9-10-19(11-14-31-16-21(27-23(17)31)18-7-4-3-5-8-18)26-24(32)20-15-29(2)28-22(20)25(33)30-12-6-13-30/h3-5,7-8,10-11,14-17H,6,9,12-13H2,1-2H3,(H,26,32)
InChIKeyFFMUJIJIOOICOZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.42
Rot. Bonds4

About 3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide

3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide (PubChem CID 123489225) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide
PubChem CID123489225
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide
SMILESCC1CC=C(NC(=O)c2cn(C)nc2C(=O)N2CCC2)C=Cn2cc(-c3ccccc3)nc21
InChIInChI=1S/C25H26N6O2/c1-17-9-10-19(11-14-31-16-21(27-23(17)31)18-7-4-3-5-8-18)26-24(32)20-15-29(2)28-22(20)25(33)30-12-6-13-30/h3-5,7-8,10-11,14-17H,6,9,12-13H2,1-2H3,(H,26,32)
InChIKeyFFMUJIJIOOICOZ-UHFFFAOYSA-N
XLogP3.42
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide
CID 123420989
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methanimidoyl-3-methylimino-N'-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)butanediamide
CID 123193500
1-methyl-4-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-3-carboxylic acid
CID 67391783
1-methyl-3-[(2-phenyl-1-benzofuran-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 29095894
4-[(2,6-dichlorophenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498506
3-[(2,3-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095890
3-[(2,6-dimethylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496533
1-methyl-3-[(3R)-3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 29096072
1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid
CID 42552584
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71506857
6-hydroxy-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]naphthalene-1-carboxamide
CID 167871752
azepan-1-yl-(2-phenylquinazolin-4-yl)methanone
CID 13336375

Frequently Asked Questions

What is the IUPAC name of 3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide (CID 123489225) is 3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide is CC1CC=C(NC(=O)c2cn(C)nc2C(=O)N2CCC2)C=Cn2cc(-c3ccccc3)nc21.
What is the InChIKey of 3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide?
The InChIKey is FFMUJIJIOOICOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17-9-10-19(11-14-31-16-21(27-23(17)31)18-7-4-3-5-8-18)26-24(32)20-15-29(2)28-22(20)25(33)30-12-6-13-30/h3-5,7-8,10-11,14-17H,6,9,12-13H2,1-2H3,(H,26,32).
What are the key properties of 3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide?
3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidine-1-carbonyl)-1-methyl-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 123489225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).