7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one

C25H23N3O2 — CID 164629180

IUPAC7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCOc1cccc(CN2CCCc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1
InChIInChI=1S/C25H23N3O2/c1-30-22-6-2-4-17(12-22)16-28-11-3-5-20-13-18(7-9-23(20)25(28)29)19-8-10-24-21(14-19)15-26-27-24/h2,4,6-10,12-15H,3,5,11,16H2,1H3,(H,26,27)
InChIKeyBZUNDARLMBDHED-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.83
Rot. Bonds4

About 7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one

7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one (PubChem CID 164629180) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Name7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one
PubChem CID164629180
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one
SMILESCOc1cccc(CN2CCCc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1
InChIInChI=1S/C25H23N3O2/c1-30-22-6-2-4-17(12-22)16-28-11-3-5-20-13-18(7-9-23(20)25(28)29)19-8-10-24-21(14-19)15-26-27-24/h2,4,6-10,12-15H,3,5,11,16H2,1H3,(H,26,27)
InChIKeyBZUNDARLMBDHED-UHFFFAOYSA-N
XLogP4.83
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-Dimethyl-1'-[(7-Methyl-1h-Indazol-5-Yl)carbonyl]spiro[chromene-2,4'-Piperidin]-4(3h)-One
CID 46884569
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 118662999
N-(1H-indazol-5-yl)-3-methoxybenzamide
CID 6465251
3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 162670833
N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-indazole-5-carboxamide
CID 44442113
1'-(7-ethyl-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884620
2,2,2-trifluoro-1-[4-[7-(1H-indazol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]ethanone
CID 59604531
1-(4-{[7-(1H-indazol-6-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]carbonyl}-phenyl)ethanone
CID 59605039
2,2,2-trifluoro-1-[4-[7-(1H-indazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]ethanone
CID 59605139
3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 68622384
N-(2-hydroxyethyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-indazol-4-yl]benzamide
CID 89782850
3-methoxy-N-methyl-4-(6-(trifluoromethyl)-1H-indazol-4-yl)benzamide
CID 89783377

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The IUPAC name of 7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one (CID 164629180) is 7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one.
What is the SMILES notation for 7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The canonical SMILES for 7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one is COc1cccc(CN2CCCc3cc(-c4ccc5[nH]ncc5c4)ccc3C2=O)c1.
What is the InChIKey of 7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one?
The InChIKey is BZUNDARLMBDHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-30-22-6-2-4-17(12-22)16-28-11-3-5-20-13-18(7-9-23(20)25(28)29)19-8-10-24-21(14-19)15-26-27-24/h2,4,6-10,12-15H,3,5,11,16H2,1H3,(H,26,27).
What are the key properties of 7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one?
7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one has a molecular weight of 397.48 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-4,5-dihydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 164629180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).