(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol

C29H32N2O — CID 7124980

IUPAC(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNC1CCCC1
InChIInChI=1S/C29H32N2O/c1-21-16-17-27-26(18-21)28(22-10-4-2-5-11-22)29(23-12-6-3-7-13-23)31(27)20-25(32)19-30-24-14-8-9-15-24/h2-7,10-13,16-18,24-25,30,32H,8-9,14-15,19-20H2,1H3/t25-/m0/s1
InChIKeyFGNADUILVGVYEB-VWLOTQADSA-N
MW424.59 g/mol
LogP6.18
Rot. Bonds7

About (2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol

(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol (PubChem CID 7124980) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is (2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
PubChem CID7124980
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNC1CCCC1
InChIInChI=1S/C29H32N2O/c1-21-16-17-27-26(18-21)28(22-10-4-2-5-11-22)29(23-12-6-3-7-13-23)31(27)20-25(32)19-30-24-14-8-9-15-24/h2-7,10-13,16-18,24-25,30,32H,8-9,14-15,19-20H2,1H3/t25-/m0/s1
InChIKeyFGNADUILVGVYEB-VWLOTQADSA-N
XLogP6.18
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol (CID 7124980) is (2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol is Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNC1CCCC1.
What is the InChIKey of (2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
The InChIKey is FGNADUILVGVYEB-VWLOTQADSA-N. The full InChI is InChI=1S/C29H32N2O/c1-21-16-17-27-26(18-21)28(22-10-4-2-5-11-22)29(23-12-6-3-7-13-23)31(27)20-25(32)19-30-24-14-8-9-15-24/h2-7,10-13,16-18,24-25,30,32H,8-9,14-15,19-20H2,1H3/t25-/m0/s1.
What are the key properties of (2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol?
(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol has a molecular weight of 424.59 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol is sourced from PubChem (CID 7124980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).