1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide

C25H23FN4O — CID 117073640

IUPAC1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CN(Cc2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C25H23FN4O/c26-23-9-5-4-8-20(23)21-15-30(14-17-6-2-1-3-7-17)16-22(21)25(31)28-19-10-11-24-18(12-19)13-27-29-24/h1-13,21-22H,14-16H2,(H,27,29)(H,28,31)
InChIKeyHLRJCMSDYRLNPC-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.56
Rot. Bonds5

About 1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide

1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 117073640) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID117073640
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CN(Cc2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C25H23FN4O/c26-23-9-5-4-8-20(23)21-15-30(14-17-6-2-1-3-7-17)16-22(21)25(31)28-19-10-11-24-18(12-19)13-27-29-24/h1-13,21-22H,14-16H2,(H,27,29)(H,28,31)
InChIKeyHLRJCMSDYRLNPC-UHFFFAOYSA-N
XLogP4.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117073639
1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 117073646
1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073630
N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide
CID 166313243
2-fluoro-N-(1H-indazol-5-yl)benzamide
CID 5078247
N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112820316
4-[(3S)-1-benzylpyrrolidin-3-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117072942
(2R)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 124606314
1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
CID 156611571
(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839438
(2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
CID 117073955
methyl (3S,4R)-1-benzyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate
CID 59131001

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide (CID 117073640) is 1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)C1CN(Cc2ccccc2)CC1c1ccccc1F.
What is the InChIKey of 1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is HLRJCMSDYRLNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-23-9-5-4-8-20(23)21-15-30(14-17-6-2-1-3-7-17)16-22(21)25(31)28-19-10-11-24-18(12-19)13-27-29-24/h1-13,21-22H,14-16H2,(H,27,29)(H,28,31).
What are the key properties of 1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117073640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).