2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile

C19H19N5O3S — CID 135442674

IUPAC2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3c(O)[nH]c4ccc(C#N)cc34)nc2)CC1
InChIInChI=1S/C19H19N5O3S/c1-23-6-8-24(9-7-23)28(26,27)14-3-5-17(21-12-14)18-15-10-13(11-20)2-4-16(15)22-19(18)25/h2-5,10,12,22,25H,6-9H2,1H3
InChIKeyJJAHGJDXTZIKLJ-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.74
Rot. Bonds3

About 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile

2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile (PubChem CID 135442674) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile
PubChem CID135442674
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3c(O)[nH]c4ccc(C#N)cc34)nc2)CC1
InChIInChI=1S/C19H19N5O3S/c1-23-6-8-24(9-7-23)28(26,27)14-3-5-17(21-12-14)18-15-10-13(11-20)2-4-16(15)22-19(18)25/h2-5,10,12,22,25H,6-9H2,1H3
InChIKeyJJAHGJDXTZIKLJ-UHFFFAOYSA-N
XLogP1.74
TPSA113.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyanomethyl)-2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
CID 135545474
methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride
CID 135508512
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride
CID 135445222
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide
CID 135545456
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide
CID 135507566
3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile
CID 141195605
2-hydroxy-N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
CID 135454983
6-bromo-2-hydroxy-N-(2-methoxyethyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
CID 135507572
6-(6-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 135496241
but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 173121140
N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride
CID 174467921
2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile
CID 135513097

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile?
The IUPAC name of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile (CID 135442674) is 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile is CN1CCN(S(=O)(=O)c2ccc(-c3c(O)[nH]c4ccc(C#N)cc34)nc2)CC1.
What is the InChIKey of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile?
The InChIKey is JJAHGJDXTZIKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-23-6-8-24(9-7-23)28(26,27)14-3-5-17(21-12-14)18-15-10-13(11-20)2-4-16(15)22-19(18)25/h2-5,10,12,22,25H,6-9H2,1H3.
What are the key properties of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile?
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile has a molecular weight of 397.46 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 135442674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).