N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide

C20H16N4OS — CID 58483575

IUPACN-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)c3cccnc3)ccc12
InChIInChI=1S/C20H16N4OS/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16/h2-13H,1H3,(H,22,25)
InChIKeySFLNEERJCXCBKD-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.39
Rot. Bonds4

About N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide

N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide (PubChem CID 58483575) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide
PubChem CID58483575
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)c3cccnc3)ccc12
InChIInChI=1S/C20H16N4OS/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16/h2-13H,1H3,(H,22,25)
InChIKeySFLNEERJCXCBKD-UHFFFAOYSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Axitinib
CID 6450551
N-Methyl-2-({3-[2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide
CID 3086685
Dihydro-Axitinib
CID 60182318
N-(3-(methylthio)-1-phenyl-1H-indazol-6-yl)piperidine-4-carboxamide
CID 49800098
N-[3-(methylthio)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 6622757
N-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 44222483
2-(4-(pyridin-4-ylmethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226283
2-(4-(pyridin-4-ylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226284
N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide
CID 56683597
N-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-piperazin-1-ylpropanamide
CID 56683647
5-amino-3,4-dimethyl-N-[(4-pyridin-3-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 89777104
5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 89777258

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide (CID 58483575) is N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide is CSc1nn(-c2ccccc2)c2cc(NC(=O)c3cccnc3)ccc12.
What is the InChIKey of N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide?
The InChIKey is SFLNEERJCXCBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-26-20-17-10-9-15(22-19(25)14-6-5-11-21-13-14)12-18(17)24(23-20)16-7-3-2-4-8-16/h2-13H,1H3,(H,22,25).
What are the key properties of N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide?
N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 58483575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).