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

C15H13ClN4O — CID 123455454

IUPAC5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide
SMILESCc1ccnc(-n2nc(C(N)=O)c3cc(CCl)ccc32)c1
InChIInChI=1S/C15H13ClN4O/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)
InChIKeySBSWDFXHPGLTQB-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.57
Rot. Bonds3

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

5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide (PubChem CID 123455454) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide
PubChem CID123455454
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide
SMILESCc1ccnc(-n2nc(C(N)=O)c3cc(CCl)ccc32)c1
InChIInChI=1S/C15H13ClN4O/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)
InChIKeySBSWDFXHPGLTQB-UHFFFAOYSA-N
XLogP2.57
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide?
The IUPAC name of 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide (CID 123455454) is 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide?
The canonical SMILES for 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide is Cc1ccnc(-n2nc(C(N)=O)c3cc(CCl)ccc32)c1.
What is the InChIKey of 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide?
The InChIKey is SBSWDFXHPGLTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/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).
What are the key properties of 5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide?
5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.57, 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 is sourced from PubChem (CID 123455454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).