N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide

C20H22N4O — CID 55822528

IUPACN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C20H22N4O/c1-23(20(25)17-9-6-8-15-13-21-22-19(15)17)14-16-7-2-3-10-18(16)24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,22)
InChIKeyUXZBQMMKACBGEB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.44
Rot. Bonds4

About N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide

N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide (PubChem CID 55822528) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide
PubChem CID55822528
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C20H22N4O/c1-23(20(25)17-9-6-8-15-13-21-22-19(15)17)14-16-7-2-3-10-18(16)24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,22)
InChIKeyUXZBQMMKACBGEB-UHFFFAOYSA-N
XLogP3.44
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid
CID 166202110
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 78817110
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 134026351
N-methyl-N-[(1-phenylcyclopropyl)methyl]-1H-indazole-7-carboxamide
CID 126788902
N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51257189
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55492047
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 126786340
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
methyl 4-[1H-indazole-7-carbonyl(methyl)amino]butanoate
CID 39491409

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide (CID 55822528) is N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide is CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc2cn[nH]c12.
What is the InChIKey of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide?
The InChIKey is UXZBQMMKACBGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(20(25)17-9-6-8-15-13-21-22-19(15)17)14-16-7-2-3-10-18(16)24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,22).
What are the key properties of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide?
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 55822528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).