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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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).