[2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone

C27H24N2O2 — CID 71481875

IUPAC[2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c3cc4c(cc3nn2-c2ccc3c(c2)CCC3)CCC4)cc1
InChIInChI=1S/C27H24N2O2/c1-31-23-12-9-18(10-13-23)27(30)26-24-15-20-6-3-7-21(20)16-25(24)28-29(26)22-11-8-17-4-2-5-19(17)14-22/h8-16H,2-7H2,1H3
InChIKeyZFFJPNALASFLTK-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.24
Rot. Bonds4

About [2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone

[2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 71481875) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID71481875
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name[2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c3cc4c(cc3nn2-c2ccc3c(c2)CCC3)CCC4)cc1
InChIInChI=1S/C27H24N2O2/c1-31-23-12-9-18(10-13-23)27(30)26-24-15-20-6-3-7-21(20)16-25(24)28-29(26)22-11-8-17-4-2-5-19(17)14-22/h8-16H,2-7H2,1H3
InChIKeyZFFJPNALASFLTK-UHFFFAOYSA-N
XLogP5.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluorophenyl)-5,6-difluoroindazol-3-yl]-(4-methoxyphenyl)methanone
CID 71481876
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036020
2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol
CID 91235499
N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55594329
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51184678
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769
1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154903
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 18266537
1-[2-(4-methoxybenzoyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]ethanone
CID 90881725
(4-methoxyphenyl) 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 18277245
N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide
CID 60532623

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone (CID 71481875) is [2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c3cc4c(cc3nn2-c2ccc3c(c2)CCC3)CCC4)cc1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is ZFFJPNALASFLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-31-23-12-9-18(10-13-23)27(30)26-24-15-20-6-3-7-21(20)16-25(24)28-29(26)22-11-8-17-4-2-5-19(17)14-22/h8-16H,2-7H2,1H3.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone?
[2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 408.50 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-yl)-6,7-dihydro-5H-cyclopenta[f]indazol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 71481875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).