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

C22H28ClN5O4S — CID 135445222

IUPAC2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride
SMILESCCCNC(=O)c1ccc2[nH]c(O)c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)c2c1.Cl
InChIInChI=1S/C22H27N5O4S.ClH/c1-3-8-23-21(28)15-4-6-18-17(13-15)20(22(29)25-18)19-7-5-16(14-24-19)32(30,31)27-11-9-26(2)10-12-27;/h4-7,13-14,25,29H,3,8-12H2,1-2H3,(H,23,28);1H
InChIKeyQIJZAXSJOUDXSP-UHFFFAOYSA-N
MW494.02 g/mol
LogP2.43
Rot. Bonds6

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

2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride (PubChem CID 135445222) has the molecular formula C22H28ClN5O4S and a molecular weight of 494.02 g/mol. Its IUPAC name is 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride
PubChem CID135445222
Molecular FormulaC22H28ClN5O4S
Molecular Weight494.02 g/mol
Exact Mass493.16
IUPAC Name2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride
SMILESCCCNC(=O)c1ccc2[nH]c(O)c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)c2c1.Cl
InChIInChI=1S/C22H27N5O4S.ClH/c1-3-8-23-21(28)15-4-6-18-17(13-15)20(22(29)25-18)19-7-5-16(14-24-19)32(30,31)27-11-9-26(2)10-12-27;/h4-7,13-14,25,29H,3,8-12H2,1-2H3,(H,23,28);1H
InChIKeyQIJZAXSJOUDXSP-UHFFFAOYSA-N
XLogP2.43
TPSA118.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.02
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride?
The IUPAC name of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride (CID 135445222) is 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride is CCCNC(=O)c1ccc2[nH]c(O)c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)c2c1.Cl.
What is the InChIKey of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride?
The InChIKey is QIJZAXSJOUDXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S.ClH/c1-3-8-23-21(28)15-4-6-18-17(13-15)20(22(29)25-18)19-7-5-16(14-24-19)32(30,31)27-11-9-26(2)10-12-27;/h4-7,13-14,25,29H,3,8-12H2,1-2H3,(H,23,28);1H.
What are the key properties of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride?
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-propyl-1H-indole-5-carboxamide;hydrochloride has a molecular weight of 494.02 g/mol, XLogP of 2.43, 6 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]-N-propyl-1H-indole-5-carboxamide;hydrochloride is sourced from PubChem (CID 135445222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).