2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

C22H25N5O2 — CID 50960920

IUPAC2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOc1ccccc1C1CNC(=O)c2nc(CCn3nccc3C3CC3)[nH]c2C1
InChIInChI=1S/C22H25N5O2/c1-29-19-5-3-2-4-16(19)15-12-17-21(22(28)23-13-15)26-20(25-17)9-11-27-18(8-10-24-27)14-6-7-14/h2-5,8,10,14-15H,6-7,9,11-13H2,1H3,(H,23,28)(H,25,26)
InChIKeyCWYLJRGQMFTCMA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.80
Rot. Bonds6

About 2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (PubChem CID 50960920) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
PubChem CID50960920
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOc1ccccc1C1CNC(=O)c2nc(CCn3nccc3C3CC3)[nH]c2C1
InChIInChI=1S/C22H25N5O2/c1-29-19-5-3-2-4-16(19)15-12-17-21(22(28)23-13-15)26-20(25-17)9-11-27-18(8-10-24-27)14-6-7-14/h2-5,8,10,14-15H,6-7,9,11-13H2,1H3,(H,23,28)(H,25,26)
InChIKeyCWYLJRGQMFTCMA-UHFFFAOYSA-N
XLogP2.80
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[4-(3-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288529
4-(azetidine-1-carbonyl)-N-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288530
4-N-cyclopropyl-5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414958
5-N-[(7R)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165415061
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2998727
5-cyclohexyl-2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-7-methyl-3H-imidazo[4,5-d]pyridazin-4-one
CID 136230178
7-[3-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrazol-4-yl]-2,5-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137641733
7-[5-(6-methoxy-3-pyridinyl)-1,3-dimethylpyrazol-4-yl]-2,5-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137649219
5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]pyrazole-4-carboxamide
CID 42417281
3-(4-methoxyphenyl)-1-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-5-carboxamide
CID 46968706
N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46968881
2-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[4,5-c]azepin-4(1H)-one
CID 50972289

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The IUPAC name of 2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (CID 50960920) is 2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The canonical SMILES for 2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is COc1ccccc1C1CNC(=O)c2nc(CCn3nccc3C3CC3)[nH]c2C1.
What is the InChIKey of 2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The InChIKey is CWYLJRGQMFTCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-19-5-3-2-4-16(19)15-12-17-21(22(28)23-13-15)26-20(25-17)9-11-27-18(8-10-24-27)14-6-7-14/h2-5,8,10,14-15H,6-7,9,11-13H2,1H3,(H,23,28)(H,25,26).
What are the key properties of 2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one has a molecular weight of 391.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 50960920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).