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

C18H19N5O2 — CID 72926372

IUPAC7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOc1ccccc1C1CNC(=O)c2nc(-c3cnn(C)c3)[nH]c2C1
InChIInChI=1S/C18H19N5O2/c1-23-10-12(9-20-23)17-21-14-7-11(8-19-18(24)16(14)22-17)13-5-3-4-6-15(13)25-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyLUYNYBTVDITZMH-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.89
Rot. Bonds3

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

7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (PubChem CID 72926372) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
PubChem CID72926372
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOc1ccccc1C1CNC(=O)c2nc(-c3cnn(C)c3)[nH]c2C1
InChIInChI=1S/C18H19N5O2/c1-23-10-12(9-20-23)17-21-14-7-11(8-19-18(24)16(14)22-17)13-5-3-4-6-15(13)25-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyLUYNYBTVDITZMH-UHFFFAOYSA-N
XLogP1.89
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The IUPAC name of 7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (CID 72926372) is 7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The canonical SMILES for 7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is COc1ccccc1C1CNC(=O)c2nc(-c3cnn(C)c3)[nH]c2C1.
What is the InChIKey of 7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The InChIKey is LUYNYBTVDITZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23-10-12(9-20-23)17-21-14-7-11(8-19-18(24)16(14)22-17)13-5-3-4-6-15(13)25-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H,21,22).
What are the key properties of 7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one has a molecular weight of 337.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 72926372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).