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

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

2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride (PubChem CID 174495981) has the molecular formula C27H29ClN6O4S and a molecular weight of 569.09 g/mol. Its IUPAC name is 2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name	2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride
PubChem CID	174495981
Molecular Formula	C27H29ClN6O4S
Molecular Weight	569.09 g/mol
Exact Mass	568.17
IUPAC Name	2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride
SMILES	C=CC(N1CCN(C)CC1)S(=O)(=O)c1ccc(-c2c(O)[nH]c3ccc(C(=O)Nc4cccnc4)cc23)nc1.Cl
InChI	InChI=1S/C27H28N6O4S.ClH/c1-3-24(33-13-11-32(2)12-14-33)38(36,37)20-7-9-23(29-17-20)25-21-15-18(6-8-22(21)31-27(25)35)26(34)30-19-5-4-10-28-16-19;/h3-10,15-17,24,31,35H,1,11-14H2,2H3,(H,30,34);1H
InChIKey	DIQXJXSPQMYYOT-UHFFFAOYSA-N
XLogP	3.54
TPSA	131.52 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.09
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride?

The IUPAC name of 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) is 2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride.

What is the SMILES notation for 2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride?

The canonical SMILES for 2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride is C=CC(N1CCN(C)CC1)S(=O)(=O)c1ccc(-c2c(O)[nH]c3ccc(C(=O)Nc4cccnc4)cc23)nc1.Cl.

What is the InChIKey of 2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride?

The InChIKey is DIQXJXSPQMYYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4S.ClH/c1-3-24(33-13-11-32(2)12-14-33)38(36,37)20-7-9-23(29-17-20)25-21-15-18(6-8-22(21)31-27(25)35)26(34)30-19-5-4-10-28-16-19;/h3-10,15-17,24,31,35H,1,11-14H2,2H3,(H,30,34);1H.

What are the key properties of 2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride?

2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride has a molecular weight of 569.09 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide;hydrochloride is sourced from PubChem (CID 174495981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).