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

C26H27N5O5S — CID 135431694

IUPAC2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc2[nH]c(O)c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)c2c1
InChIInChI=1S/C26H27N5O5S/c1-30-11-13-31(14-12-30)37(34,35)18-8-10-22(27-16-18)24-19-15-17(7-9-20(19)28-26(24)33)25(32)29-21-5-3-4-6-23(21)36-2/h3-10,15-16,28,33H,11-14H2,1-2H3,(H,29,32)
InChIKeyBWPSTBFZYHYYRO-UHFFFAOYSA-N
MW521.60 g/mol
LogP3.13
Rot. Bonds6

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

2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide (PubChem CID 135431694) has the molecular formula C26H27N5O5S and a molecular weight of 521.60 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
PubChem CID135431694
Molecular FormulaC26H27N5O5S
Molecular Weight521.60 g/mol
Exact Mass521.17
IUPAC Name2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc2[nH]c(O)c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)c2c1
InChIInChI=1S/C26H27N5O5S/c1-30-11-13-31(14-12-30)37(34,35)18-8-10-22(27-16-18)24-19-15-17(7-9-20(19)28-26(24)33)25(32)29-21-5-3-4-6-23(21)36-2/h3-10,15-16,28,33H,11-14H2,1-2H3,(H,29,32)
InChIKeyBWPSTBFZYHYYRO-UHFFFAOYSA-N
XLogP3.13
TPSA127.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.60
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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
N-(cyanomethyl)-2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
CID 135545474
2-hydroxy-N-[(3-methoxyphenyl)methyl]-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide
CID 135454983
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]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide
CID 135507566
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]-1H-indole-5-carbonitrile
CID 135442674
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
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
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide
CID 19258158
2-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide
CID 174495881
N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969488

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide?
The IUPAC name of 2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide (CID 135431694) is 2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide is COc1ccccc1NC(=O)c1ccc2[nH]c(O)c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)c2c1.
What is the InChIKey of 2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide?
The InChIKey is BWPSTBFZYHYYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5S/c1-30-11-13-31(14-12-30)37(34,35)18-8-10-22(27-16-18)24-19-15-17(7-9-20(19)28-26(24)33)25(32)29-21-5-3-4-6-23(21)36-2/h3-10,15-16,28,33H,11-14H2,1-2H3,(H,29,32).
What are the key properties of 2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide?
2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide has a molecular weight of 521.60 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 135431694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).