N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide

C26H29N7O4S — CID 44540955

IUPACN-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cccc(CN4CCCCC4)n3)c3cn[nH]c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C26H29N7O4S/c1-37-26-24(32-38(2,35)36)13-18(14-27-26)17-11-22(20-15-28-31-23(20)12-17)30-25(34)21-8-6-7-19(29-21)16-33-9-4-3-5-10-33/h6-8,11-15,32H,3-5,9-10,16H2,1-2H3,(H,28,31)(H,30,34)
InChIKeyZLIDUQKWSMSQEJ-UHFFFAOYSA-N
MW535.63 g/mol
LogP3.64
Rot. Bonds8

About N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide

N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide (PubChem CID 44540955) has the molecular formula C26H29N7O4S and a molecular weight of 535.63 g/mol. Its IUPAC name is N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
PubChem CID44540955
Molecular FormulaC26H29N7O4S
Molecular Weight535.63 g/mol
Exact Mass535.20
IUPAC NameN-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cccc(CN4CCCCC4)n3)c3cn[nH]c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C26H29N7O4S/c1-37-26-24(32-38(2,35)36)13-18(14-27-26)17-11-22(20-15-28-31-23(20)12-17)30-25(34)21-8-6-7-19(29-21)16-33-9-4-3-5-10-33/h6-8,11-15,32H,3-5,9-10,16H2,1-2H3,(H,28,31)(H,30,34)
InChIKeyZLIDUQKWSMSQEJ-UHFFFAOYSA-N
XLogP3.64
TPSA142.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.63
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 44540863
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
6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44540140
6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid
CID 159698795
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide
CID 44540137
N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66911246
6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44540595
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-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
CID 88951727
N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 58255815
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
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

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide (CID 44540955) is N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide is COc1ncc(-c2cc(NC(=O)c3cccc(CN4CCCCC4)n3)c3cn[nH]c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide?
The InChIKey is ZLIDUQKWSMSQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4S/c1-37-26-24(32-38(2,35)36)13-18(14-27-26)17-11-22(20-15-28-31-23(20)12-17)30-25(34)21-8-6-7-19(29-21)16-33-9-4-3-5-10-33/h6-8,11-15,32H,3-5,9-10,16H2,1-2H3,(H,28,31)(H,30,34).
What are the key properties of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide?
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide has a molecular weight of 535.63 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 44540955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).