N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide

C18H18N4O — CID 86852999

IUPACN-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N(Cc3ccncc3)C3CC3)c2c1
InChIInChI=1S/C18H18N4O/c1-12-2-5-16-15(10-12)17(21-20-16)18(23)22(14-3-4-14)11-13-6-8-19-9-7-13/h2,5-10,14H,3-4,11H2,1H3,(H,20,21)
InChIKeyJLGIXNJCPZUCSS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.07
Rot. Bonds4

About N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide

N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 86852999) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID86852999
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N(Cc3ccncc3)C3CC3)c2c1
InChIInChI=1S/C18H18N4O/c1-12-2-5-16-15(10-12)17(21-20-16)18(23)22(14-3-4-14)11-13-6-8-19-9-7-13/h2,5-10,14H,3-4,11H2,1H3,(H,20,21)
InChIKeyJLGIXNJCPZUCSS-UHFFFAOYSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866028
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 78867975
N-benzyl-N-(1-butylpiperidin-4-yl)-6-methyl-1H-indazole-3-carboxamide
CID 170623200
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 92597147
N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866013
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
N-(1-hydroxypropan-2-yl)-N,5-dimethyl-1H-indazole-3-carboxamide
CID 109388543
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 33345718
N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 60674055

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide (CID 86852999) is N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)N(Cc3ccncc3)C3CC3)c2c1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is JLGIXNJCPZUCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-2-5-16-15(10-12)17(21-20-16)18(23)22(14-3-4-14)11-13-6-8-19-9-7-13/h2,5-10,14H,3-4,11H2,1H3,(H,20,21).
What are the key properties of N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide?
N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 86852999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).