7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one

C23H19N3O2 — CID 25016887

IUPAC7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CCc2[nH]n(-c4ccccn4)c(=O)c2-3)cc1
InChIInChI=1S/C23H19N3O2/c1-28-18-9-5-15(6-10-18)16-7-11-19-17(14-16)8-12-20-22(19)23(27)26(25-20)21-4-2-3-13-24-21/h2-7,9-11,13-14,25H,8,12H2,1H3
InChIKeyPFWMSQFEFQKBIZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.00
Rot. Bonds3

About 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one

7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one (PubChem CID 25016887) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
PubChem CID25016887
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CCc2[nH]n(-c4ccccn4)c(=O)c2-3)cc1
InChIInChI=1S/C23H19N3O2/c1-28-18-9-5-15(6-10-18)16-7-11-19-17(14-16)8-12-20-22(19)23(27)26(25-20)21-4-2-3-13-24-21/h2-7,9-11,13-14,25H,8,12H2,1H3
InChIKeyPFWMSQFEFQKBIZ-UHFFFAOYSA-N
XLogP4.00
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134307820
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307447
2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-yl)propanamide
CID 3765426
6-(4-methoxy-2-methylphenyl)-2-(6-((S)-3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)phthalazin-1(2H)-one
CID 11546697
N-[5-(4-Methoxyphenyl)pyridin-2-yl]benzamide
CID 24949559
2-(6-methoxynaphthalen-2-yl)-N-(4-methylpyridin-2-yl)propanamide
CID 42919272
6-(4-Methoxy-2,6-dimethyl-phenyl)-8-methyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 44390861
2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-yl)propanamide
CID 44423268
(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide
CID 155563178
4-(4-methoxyphenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6463999

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The IUPAC name of 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one (CID 25016887) is 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The canonical SMILES for 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one is COc1ccc(-c2ccc3c(c2)CCc2[nH]n(-c4ccccn4)c(=O)c2-3)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
The InChIKey is PFWMSQFEFQKBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-18-9-5-15(6-10-18)16-7-11-19-17(14-16)8-12-20-22(19)23(27)26(25-20)21-4-2-3-13-24-21/h2-7,9-11,13-14,25H,8,12H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one?
7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one has a molecular weight of 369.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-3H-benzo[e]indazol-1-one is sourced from PubChem (CID 25016887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).