2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide

C19H21N5O4S — CID 135545456

IUPAC2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3c(O)[nH]c4cc(C(N)=O)ccc34)nc2)CC1
InChIInChI=1S/C19H21N5O4S/c1-23-6-8-24(9-7-23)29(27,28)13-3-5-15(21-11-13)17-14-4-2-12(18(20)25)10-16(14)22-19(17)26/h2-5,10-11,22,26H,6-9H2,1H3,(H2,20,25)
InChIKeyHUTGSBGOZFYPFI-UHFFFAOYSA-N
MW415.48 g/mol
LogP0.97
Rot. Bonds4

About 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide

2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide (PubChem CID 135545456) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide
PubChem CID135545456
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3c(O)[nH]c4cc(C(N)=O)ccc34)nc2)CC1
InChIInChI=1S/C19H21N5O4S/c1-23-6-8-24(9-7-23)29(27,28)13-3-5-15(21-11-13)17-14-4-2-12(18(20)25)10-16(14)22-19(17)26/h2-5,10-11,22,26H,6-9H2,1H3,(H2,20,25)
InChIKeyHUTGSBGOZFYPFI-UHFFFAOYSA-N
XLogP0.97
TPSA132.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-sulfamoylethyl)-1H-indole-5-carboxamide
CID 135507566
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride
CID 135445222
N-(cyanomethyl)-2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
CID 135545474
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile
CID 135442674
2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
CID 135431694
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
4-chloro-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 56919777
2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride
CID 174495981
2-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide
CID 174495881
1-(1H-indol-3-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propan-1-one
CID 16562463

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide?
The IUPAC name of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide (CID 135545456) is 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide?
The canonical SMILES for 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide is CN1CCN(S(=O)(=O)c2ccc(-c3c(O)[nH]c4cc(C(N)=O)ccc34)nc2)CC1.
What is the InChIKey of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide?
The InChIKey is HUTGSBGOZFYPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-23-6-8-24(9-7-23)29(27,28)13-3-5-15(21-11-13)17-14-4-2-12(18(20)25)10-16(14)22-19(17)26/h2-5,10-11,22,26H,6-9H2,1H3,(H2,20,25).
What are the key properties of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide?
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-6-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 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-6-carboxamide is sourced from PubChem (CID 135545456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).