N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide

C17H19N5O — CID 53164110

IUPACN-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide
SMILESCC(C)Cn1nc(CNC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C17H19N5O/c1-12(2)11-22-16-6-4-3-5-13(16)14(21-22)10-20-17(23)15-9-18-7-8-19-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyNFIJGYRKCAKDRH-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.41
Rot. Bonds5

About N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide

N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 53164110) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID53164110
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide
SMILESCC(C)Cn1nc(CNC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C17H19N5O/c1-12(2)11-22-16-6-4-3-5-13(16)14(21-22)10-20-17(23)15-9-18-7-8-19-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyNFIJGYRKCAKDRH-UHFFFAOYSA-N
XLogP2.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide
CID 53163992
N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794096
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 16671589
N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110745123
N-[(1-ethylindazol-3-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 135092372
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 49046752
N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794075
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
methyl 1-(2-methylpropyl)indazole-3-carboxylate
CID 10489745

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide (CID 53164110) is N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide is CC(C)Cn1nc(CNC(=O)c2cnccn2)c2ccccc21.
What is the InChIKey of N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is NFIJGYRKCAKDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12(2)11-22-16-6-4-3-5-13(16)14(21-22)10-20-17(23)15-9-18-7-8-19-15/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide?
N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 53164110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).