6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one

C21H19N5O2 — CID 70778242

IUPAC6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
SMILESO=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCc2[nH][nH]c(=O)c2CC1
InChIInChI=1S/C21H19N5O2/c27-20-16-8-10-25(11-9-17(16)23-24-20)21(28)15-6-7-19-22-18(13-26(19)12-15)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H2,23,24,27)
InChIKeyMUTMDRCWFUHPHZ-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.26
Rot. Bonds2

About 6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one

6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one (PubChem CID 70778242) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one.

Molecular Properties

Compound Name6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
PubChem CID70778242
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
SMILESO=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCc2[nH][nH]c(=O)c2CC1
InChIInChI=1S/C21H19N5O2/c27-20-16-8-10-25(11-9-17(16)23-24-20)21(28)15-6-7-19-22-18(13-26(19)12-15)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H2,23,24,27)
InChIKeyMUTMDRCWFUHPHZ-UHFFFAOYSA-N
XLogP2.26
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)piperidine-4-carbonitrile
CID 70707501
[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 96574025
(2-phenylazetidin-1-yl)-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 72915799
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 50848041
(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 96578369
[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate
CID 22364124
2-phenyl-N-(2-pyrazolidin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134080839
2-phenyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72935701
N-[1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]pyrrolidin-3-yl]acetamide
CID 72940598
[2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 53167110
N-(4-morpholin-4-ylphenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 53167088
[2-(2-aminoethyl)morpholin-4-yl]-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanone;dihydrochloride
CID 154899649

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one?
The IUPAC name of 6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one (CID 70778242) is 6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one.
What is the SMILES notation for 6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one?
The canonical SMILES for 6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one is O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCc2[nH][nH]c(=O)c2CC1.
What is the InChIKey of 6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one?
The InChIKey is MUTMDRCWFUHPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-20-16-8-10-25(11-9-17(16)23-24-20)21(28)15-6-7-19-22-18(13-26(19)12-15)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H2,23,24,27).
What are the key properties of 6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one?
6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one has a molecular weight of 373.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one is sourced from PubChem (CID 70778242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).