2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride

C27H34ClN3O6S — CID 157185929

IUPAC2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(c3cn(CC(=O)O)c4cc(N5CCOCC5)ccc34)C2)cc1.Cl
InChIInChI=1S/C27H33N3O6S.ClH/c1-19(2)36-22-4-6-23(7-5-22)37(33,34)30-10-9-20(16-30)25-17-29(18-27(31)32)26-15-21(3-8-24(25)26)28-11-13-35-14-12-28;/h3-8,15,17,19-20H,9-14,16,18H2,1-2H3,(H,31,32);1H
InChIKeyVLHZTWPFXJDHLV-UHFFFAOYSA-N
MW564.10 g/mol
LogP3.95
Rot. Bonds8

About 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride

2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride (PubChem CID 157185929) has the molecular formula C27H34ClN3O6S and a molecular weight of 564.10 g/mol. Its IUPAC name is 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride
PubChem CID157185929
Molecular FormulaC27H34ClN3O6S
Molecular Weight564.10 g/mol
Exact Mass563.19
IUPAC Name2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(c3cn(CC(=O)O)c4cc(N5CCOCC5)ccc34)C2)cc1.Cl
InChIInChI=1S/C27H33N3O6S.ClH/c1-19(2)36-22-4-6-23(7-5-22)37(33,34)30-10-9-20(16-30)25-17-29(18-27(31)32)26-15-21(3-8-24(25)26)28-11-13-35-14-12-28;/h3-8,15,17,19-20H,9-14,16,18H2,1-2H3,(H,31,32);1H
InChIKeyVLHZTWPFXJDHLV-UHFFFAOYSA-N
XLogP3.95
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.10
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride 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

2-[6-ethoxycarbonyl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid
CID 70640245
2-[5-phenyl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetaldehyde
CID 88933278
2-[6-cyclopentyl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]-4,5-dihydroindol-1-yl]acetic acid
CID 163893926
2-[6-cyano-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
CID 71106371
2-[6-(3-methoxyphenyl)-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetaldehyde
CID 88933197
2-[6-(furan-3-ylmethoxy)-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetaldehyde
CID 88933263
2-[5-methyl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetaldehyde
CID 88933179
2-[3-[1-(2-fluoro-4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-c]pyridin-1-yl]acetic acid
CID 59559330
2-[3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-6-prop-2-ynoxypyrrolo[2,3-b]pyridin-1-yl]acetic acid
CID 59559456
2-[5-methoxy-3-[1-(4-propan-2-yloxycyclohexa-2,4-dien-1-yl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid
CID 71102833
2-[7-chloro-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetaldehyde
CID 88933218
2-[5-chloro-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethane-1,1-diol
CID 71106472

Frequently Asked Questions

What is the IUPAC name of 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride (CID 157185929) is 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride is CC(C)Oc1ccc(S(=O)(=O)N2CCC(c3cn(CC(=O)O)c4cc(N5CCOCC5)ccc34)C2)cc1.Cl.
What is the InChIKey of 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride?
The InChIKey is VLHZTWPFXJDHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O6S.ClH/c1-19(2)36-22-4-6-23(7-5-22)37(33,34)30-10-9-20(16-30)25-17-29(18-27(31)32)26-15-21(3-8-24(25)26)28-11-13-35-14-12-28;/h3-8,15,17,19-20H,9-14,16,18H2,1-2H3,(H,31,32);1H.
What are the key properties of 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride?
2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride has a molecular weight of 564.10 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-morpholin-4-yl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 157185929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).