3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide

C17H15N5O — CID 118959992

IUPAC3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide
SMILESCn1ncc2cc(Cc3[nH]nc4ccc(C(N)=O)cc34)ccc21
InChIInChI=1S/C17H15N5O/c1-22-16-5-2-10(6-12(16)9-19-22)7-15-13-8-11(17(18)23)3-4-14(13)20-21-15/h2-6,8-9H,7H2,1H3,(H2,18,23)(H,20,21)
InChIKeyFKSZUWFVJWFYOD-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.14
Rot. Bonds3

About 3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide

3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide (PubChem CID 118959992) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide
PubChem CID118959992
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide
SMILESCn1ncc2cc(Cc3[nH]nc4ccc(C(N)=O)cc34)ccc21
InChIInChI=1S/C17H15N5O/c1-22-16-5-2-10(6-12(16)9-19-22)7-15-13-8-11(17(18)23)3-4-14(13)20-21-15/h2-6,8-9H,7H2,1H3,(H2,18,23)(H,20,21)
InChIKeyFKSZUWFVJWFYOD-UHFFFAOYSA-N
XLogP2.14
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide (CID 118959992) is 3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide is Cn1ncc2cc(Cc3[nH]nc4ccc(C(N)=O)cc34)ccc21.
What is the InChIKey of 3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide?
The InChIKey is FKSZUWFVJWFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-22-16-5-2-10(6-12(16)9-19-22)7-15-13-8-11(17(18)23)3-4-14(13)20-21-15/h2-6,8-9H,7H2,1H3,(H2,18,23)(H,20,21).
What are the key properties of 3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide?
3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 118959992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).