6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

C22H23N3O — CID 121271842

IUPAC6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C)c2C1
InChIInChI=1S/C22H23N3O/c1-13-10-17-16(4-3-5-19(17)23-21(26)11-13)15-8-9-20-18(12-15)22(14-6-7-14)24-25(20)2/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,23,26)
InChIKeyLPARKXQSEPQXPS-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.64
Rot. Bonds2

About 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 121271842) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID121271842
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C)c2C1
InChIInChI=1S/C22H23N3O/c1-13-10-17-16(4-3-5-19(17)23-21(26)11-13)15-8-9-20-18(12-15)22(14-6-7-14)24-25(20)2/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,23,26)
InChIKeyLPARKXQSEPQXPS-UHFFFAOYSA-N
XLogP4.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

N-1-naphthalenyl-1-pentyl-1H-indazole-3-carboxamide
CID 119058030
(4r)-6-(3-Cyclopropyl-1-Methyl-1h-Indazol-5-Yl)-4-Methyl-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One
CID 121271781
N-[2-(2-methyl-2,6,7,8-tetrahydrocyclopenta[e] indazol-8-yl)ethyl]propanamide
CID 25024912
N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45269261
CID 121271742
CID 121271742
CID 121271756
CID 121271756
(4R)-4-methyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121278155
N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide
CID 155926647
N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45267528
N-[[1-(2-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45268408
N-[[1-(2,6-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45269264
N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide
CID 45270943

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 121271842) is 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is CC1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C)c2C1.
What is the InChIKey of 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is LPARKXQSEPQXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-13-10-17-16(4-3-5-19(17)23-21(26)11-13)15-8-9-20-18(12-15)22(14-6-7-14)24-25(20)2/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,23,26).
What are the key properties of 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 345.45 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 121271842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).