5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide

C21H24N4O — CID 166364361

IUPAC5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide
SMILESCc1ccc(CN2CCC(NC(=O)c3cc(C)cc4cn[nH]c34)C2)cc1
InChIInChI=1S/C21H24N4O/c1-14-3-5-16(6-4-14)12-25-8-7-18(13-25)23-21(26)19-10-15(2)9-17-11-22-24-20(17)19/h3-6,9-11,18H,7-8,12-13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyWQFUZRPBGVEDNG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.18
Rot. Bonds4

About 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide

5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide (PubChem CID 166364361) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide
PubChem CID166364361
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide
SMILESCc1ccc(CN2CCC(NC(=O)c3cc(C)cc4cn[nH]c34)C2)cc1
InChIInChI=1S/C21H24N4O/c1-14-3-5-16(6-4-14)12-25-8-7-18(13-25)23-21(26)19-10-15(2)9-17-11-22-24-20(17)19/h3-6,9-11,18H,7-8,12-13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyWQFUZRPBGVEDNG-UHFFFAOYSA-N
XLogP3.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide?
The IUPAC name of 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide (CID 166364361) is 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide is Cc1ccc(CN2CCC(NC(=O)c3cc(C)cc4cn[nH]c34)C2)cc1.
What is the InChIKey of 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide?
The InChIKey is WQFUZRPBGVEDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-3-5-16(6-4-14)12-25-8-7-18(13-25)23-21(26)19-10-15(2)9-17-11-22-24-20(17)19/h3-6,9-11,18H,7-8,12-13H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide?
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 166364361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).