5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane

C16H17ClN4O — CID 144793484

IUPAC5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane
SMILESC.Cc1ccnc(-n2nc(C(N)=O)c3cc(CCl)ccc32)c1
InChIInChI=1S/C15H13ClN4O.CH4/c1-9-4-5-18-13(6-9)20-12-3-2-10(8-16)7-11(12)14(19-20)15(17)21;/h2-7H,8H2,1H3,(H2,17,21);1H4
InChIKeyOOAWPUHXCOFLHA-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.20
Rot. Bonds3

About 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane

5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane (PubChem CID 144793484) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane.

Molecular Properties

Compound Name5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane
PubChem CID144793484
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane
SMILESC.Cc1ccnc(-n2nc(C(N)=O)c3cc(CCl)ccc32)c1
InChIInChI=1S/C15H13ClN4O.CH4/c1-9-4-5-18-13(6-9)20-12-3-2-10(8-16)7-11(12)14(19-20)15(17)21;/h2-7H,8H2,1H3,(H2,17,21);1H4
InChIKeyOOAWPUHXCOFLHA-UHFFFAOYSA-N
XLogP3.20
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide
CID 123455454
5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid
CID 123645258
5-[[butanoyl(methyl)amino]methyl]-1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide
CID 144793035
5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide
CID 123659210
2-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfanylacetic acid
CID 62408189
3-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 66021415
ethyl 1-(4-methyl-2-pyridinyl)triazole-4-carboxylate
CID 15459344
1-(1-methylpyrazol-3-yl)indazole-3-carboxamide
CID 141444852
ethyl 1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylate
CID 125453403
ethyl 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylate
CID 134843904
2-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-methylpyridine
CID 66021406
2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
CID 62678485

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane?
The IUPAC name of 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane (CID 144793484) is 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane.
What is the SMILES notation for 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane?
The canonical SMILES for 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane is C.Cc1ccnc(-n2nc(C(N)=O)c3cc(CCl)ccc32)c1.
What is the InChIKey of 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane?
The InChIKey is OOAWPUHXCOFLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O.CH4/c1-9-4-5-18-13(6-9)20-12-3-2-10(8-16)7-11(12)14(19-20)15(17)21;/h2-7H,8H2,1H3,(H2,17,21);1H4.
What are the key properties of 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane?
5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane has a molecular weight of 316.79 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane is sourced from PubChem (CID 144793484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).