[1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol

C27H35N3O — CID 18430749

IUPAC[1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol
SMILESCCc1nn(C2CCCC2)c2cc(C3CN(Cc4ccccc4)CC3(C)CO)ccc12
InChIInChI=1S/C27H35N3O/c1-3-25-23-14-13-21(15-26(23)30(28-25)22-11-7-8-12-22)24-17-29(18-27(24,2)19-31)16-20-9-5-4-6-10-20/h4-6,9-10,13-15,22,24,31H,3,7-8,11-12,16-19H2,1-2H3
InChIKeyHUHUZAJIXICKFE-UHFFFAOYSA-N
MW417.60 g/mol
LogP5.31
Rot. Bonds6

About [1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol

[1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol (PubChem CID 18430749) has the molecular formula C27H35N3O and a molecular weight of 417.60 g/mol. Its IUPAC name is [1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol
PubChem CID18430749
Molecular FormulaC27H35N3O
Molecular Weight417.60 g/mol
Exact Mass417.28
IUPAC Name[1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol
SMILESCCc1nn(C2CCCC2)c2cc(C3CN(Cc4ccccc4)CC3(C)CO)ccc12
InChIInChI=1S/C27H35N3O/c1-3-25-23-14-13-21(15-26(23)30(28-25)22-11-7-8-12-22)24-17-29(18-27(24,2)19-31)16-20-9-5-4-6-10-20/h4-6,9-10,13-15,22,24,31H,3,7-8,11-12,16-19H2,1-2H3
InChIKeyHUHUZAJIXICKFE-UHFFFAOYSA-N
XLogP5.31
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclopentyl-3-ethylindazol-6-yl)methanediol
CID 57438282
2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile
CID 22733812
1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide
CID 21360894
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
(2S)-2-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)piperazine-1-carboxamide
CID 58188947
1-cyclopentyl-3-ethyl-6-piperazin-1-ylindazole
CID 23627510
1-cyclopentyl-3-ethyl-6-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]indazole
CID 141103857
[(4S,9aR)-2-benzyl-8-cyclohexyl-4-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-yl]methanol
CID 124877955
1-cyclohex-2-en-1-yl-3-ethylindazole-6-carboxylic acid
CID 21183700
1-[(3S,4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
CID 59960710
1-cyclopropyl-3-ethyl-6-(1H-pyrazol-5-yl)indazole
CID 59810832
4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide
CID 143218430

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol (CID 18430749) is [1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol is CCc1nn(C2CCCC2)c2cc(C3CN(Cc4ccccc4)CC3(C)CO)ccc12.
What is the InChIKey of [1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol?
The InChIKey is HUHUZAJIXICKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O/c1-3-25-23-14-13-21(15-26(23)30(28-25)22-11-7-8-12-22)24-17-29(18-27(24,2)19-31)16-20-9-5-4-6-10-20/h4-6,9-10,13-15,22,24,31H,3,7-8,11-12,16-19H2,1-2H3.
What are the key properties of [1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol?
[1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol has a molecular weight of 417.60 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(1-cyclopentyl-3-ethylindazol-6-yl)-3-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 18430749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).