N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

C24H28N8O4S2 — CID 66911246

IUPACN-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cscn3)c3cn[nH]c3c2)cc1NS(=O)(=O)CCN1CCN(C)CC1
InChIInChI=1S/C24H28N8O4S2/c1-31-3-5-32(6-4-31)7-8-38(34,35)30-21-11-17(12-25-24(21)36-2)16-9-19(18-13-27-29-20(18)10-16)28-23(33)22-14-37-15-26-22/h9-15,30H,3-8H2,1-2H3,(H,27,29)(H,28,33)
InChIKeyJXLYFSJPGMWIIP-UHFFFAOYSA-N
MW556.67 g/mol
LogP2.33
Rot. Bonds9

About N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 66911246) has the molecular formula C24H28N8O4S2 and a molecular weight of 556.67 g/mol. Its IUPAC name is N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID66911246
Molecular FormulaC24H28N8O4S2
Molecular Weight556.67 g/mol
Exact Mass556.17
IUPAC NameN-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cscn3)c3cn[nH]c3c2)cc1NS(=O)(=O)CCN1CCN(C)CC1
InChIInChI=1S/C24H28N8O4S2/c1-31-3-5-32(6-4-31)7-8-38(34,35)30-21-11-17(12-25-24(21)36-2)16-9-19(18-13-27-29-20(18)10-16)28-23(33)22-14-37-15-26-22/h9-15,30H,3-8H2,1-2H3,(H,27,29)(H,28,33)
InChIKeyJXLYFSJPGMWIIP-UHFFFAOYSA-N
XLogP2.33
TPSA145.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.67
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58255832
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 44540863
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 44540955
2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 67155536
N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 58255815
2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58255735
N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
CID 88951727
N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 44539936
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid
CID 159985886
decanedioic acid;bis(N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide)
CID 78318942
N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 66692266
N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67319097

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (CID 66911246) is N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is COc1ncc(-c2cc(NC(=O)c3cscn3)c3cn[nH]c3c2)cc1NS(=O)(=O)CCN1CCN(C)CC1.
What is the InChIKey of N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JXLYFSJPGMWIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O4S2/c1-31-3-5-32(6-4-31)7-8-38(34,35)30-21-11-17(12-25-24(21)36-2)16-9-19(18-13-27-29-20(18)10-16)28-23(33)22-14-37-15-26-22/h9-15,30H,3-8H2,1-2H3,(H,27,29)(H,28,33).
What are the key properties of N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 556.67 g/mol, XLogP of 2.33, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66911246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).