5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide

C20H20N4O2 — CID 78859139

IUPAC5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCc3ccc(N4CCCC4=O)cc3)c2c1
InChIInChI=1S/C20H20N4O2/c1-13-4-9-17-16(11-13)19(23-22-17)20(26)21-12-14-5-7-15(8-6-14)24-10-2-3-18(24)25/h4-9,11H,2-3,10,12H2,1H3,(H,21,26)(H,22,23)
InChIKeyRFIXRUMDFANLDT-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.93
Rot. Bonds4

About 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide

5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide (PubChem CID 78859139) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
PubChem CID78859139
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCc3ccc(N4CCCC4=O)cc3)c2c1
InChIInChI=1S/C20H20N4O2/c1-13-4-9-17-16(11-13)19(23-22-17)20(26)21-12-14-5-7-15(8-6-14)24-10-2-3-18(24)25/h4-9,11H,2-3,10,12H2,1H3,(H,21,26)(H,22,23)
InChIKeyRFIXRUMDFANLDT-UHFFFAOYSA-N
XLogP2.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide
CID 78902171
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165424880
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
CID 39997103
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110425550
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 154845834
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110616696

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide (CID 78859139) is 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NCc3ccc(N4CCCC4=O)cc3)c2c1.
What is the InChIKey of 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is RFIXRUMDFANLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-4-9-17-16(11-13)19(23-22-17)20(26)21-12-14-5-7-15(8-6-14)24-10-2-3-18(24)25/h4-9,11H,2-3,10,12H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide?
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 78859139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).