1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide

C17H14N6OS — CID 131902698

IUPAC1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2csc(-c3cnccn3)n2)c2ccccc21
InChIInChI=1S/C17H14N6OS/c1-23-14-5-3-2-4-12(14)15(22-23)16(24)20-8-11-10-25-17(21-11)13-9-18-6-7-19-13/h2-7,9-10H,8H2,1H3,(H,20,24)
InChIKeyJKSJHGCRWGFKHC-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.42
Rot. Bonds4

About 1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide

1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide (PubChem CID 131902698) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
PubChem CID131902698
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC Name1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2csc(-c3cnccn3)n2)c2ccccc21
InChIInChI=1S/C17H14N6OS/c1-23-14-5-3-2-4-12(14)15(22-23)16(24)20-8-11-10-25-17(21-11)13-9-18-6-7-19-13/h2-7,9-10H,8H2,1H3,(H,20,24)
InChIKeyJKSJHGCRWGFKHC-UHFFFAOYSA-N
XLogP2.42
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3-(2-methylpropyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 50966241
1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 131950032
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 131894963
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131943695
4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 131920068
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138810938
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131893307
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 17164693
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95140572
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131928986

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide (CID 131902698) is 1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide is Cn1nc(C(=O)NCc2csc(-c3cnccn3)n2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide?
The InChIKey is JKSJHGCRWGFKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c1-23-14-5-3-2-4-12(14)15(22-23)16(24)20-8-11-10-25-17(21-11)13-9-18-6-7-19-13/h2-7,9-10H,8H2,1H3,(H,20,24).
What are the key properties of 1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide?
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 131902698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).