sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride

C24H27N2NaO5 — CID 173223115

IUPACsodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride
SMILESCOc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12.[H-].[Na+]
InChIInChI=1S/C24H26N2O5.Na.H/c1-26-14-17(11-15-7-8-16(23(27)28)12-22(15)30-2)20-13-18(9-10-21(20)26)25-24(29)31-19-5-3-4-6-19;;/h7-10,12-14,19H,3-6,11H2,1-2H3,(H,25,29)(H,27,28);;/q;+1;-1
InChIKeyFMFONBOPPHZXOX-UHFFFAOYSA-N
MW446.48 g/mol
LogP2.08
Rot. Bonds6

About sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride

sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride (PubChem CID 173223115) has the molecular formula C24H27N2NaO5 and a molecular weight of 446.48 g/mol. Its IUPAC name is sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride.

Molecular Properties

Compound Namesodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride
PubChem CID173223115
Molecular FormulaC24H27N2NaO5
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Namesodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride
SMILESCOc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12.[H-].[Na+]
InChIInChI=1S/C24H26N2O5.Na.H/c1-26-14-17(11-15-7-8-16(23(27)28)12-22(15)30-2)20-13-18(9-10-21(20)26)25-24(29)31-19-5-3-4-6-19;;/h7-10,12-14,19H,3-6,11H2,1-2H3,(H,25,29)(H,27,28);;/q;+1;-1
InChIKeyFMFONBOPPHZXOX-UHFFFAOYSA-N
XLogP2.08
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(cyclopentyloxycarbonylamino)-1-(dimethylcarbamoyl)indol-3-yl]methyl]-3-methoxybenzoic acid
CID 54523791
diphenylcarbamoyl 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoate
CID 86743327
sodium;cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate;hydride
CID 173138650
calcium cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 23365845
potassium cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 11181062
methyl 4-[[5-(cyclopentyloxycarbonylamino)-1-(2-methoxyethyl)indol-3-yl]methyl]-3-methoxybenzoate
CID 23365888
cyclopentyl N-[3-[[4-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]-2-methoxyphenyl]methyl]-1-(trideuteriomethyl)indol-5-yl]carbamate
CID 169447775
methyl 4-[[5-(cyclopentyloxycarbonylamino)-1-(3-methylbutyl)indol-3-yl]methyl]-3-methoxybenzoate
CID 23365903
methyl 4-[[5-(cyclopentyloxycarbonylamino)-1-[(4-fluorophenyl)carbamoyl]indol-3-yl]methyl]-3-methoxybenzoate
CID 54525687
[4-[2-[[4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoyl]sulfamoyl]phenyl]-2-methylbut-3-yn-2-yl] acetate
CID 67884075
cyclopentyl N-[3-[(2-methoxyphenyl)methyl]-1-propylindol-5-yl]carbamate
CID 141017547
(1-deuteriocyclopentyl) N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 25192646

Frequently Asked Questions

What is the IUPAC name of sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride?
The IUPAC name of sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride (CID 173223115) is sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride.
What is the SMILES notation for sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride?
The canonical SMILES for sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride is COc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12.[H-].[Na+].
What is the InChIKey of sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride?
The InChIKey is FMFONBOPPHZXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5.Na.H/c1-26-14-17(11-15-7-8-16(23(27)28)12-22(15)30-2)20-13-18(9-10-21(20)26)25-24(29)31-19-5-3-4-6-19;;/h7-10,12-14,19H,3-6,11H2,1-2H3,(H,25,29)(H,27,28);;/q;+1;-1.
What are the key properties of sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride?
sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride has a molecular weight of 446.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid;hydride is sourced from PubChem (CID 173223115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).