4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide

C26H25FN4O — CID 163712867

IUPAC4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H25FN4O/c1-18-15-25-20(17-28-31(25)23-9-7-21(27)8-10-23)16-24(18)19-11-13-30(14-12-19)26(32)29-22-5-3-2-4-6-22/h2-10,15-17,19H,11-14H2,1H3,(H,29,32)
InChIKeyKKUTWHGRQLOTDL-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.88
Rot. Bonds3

About 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide

4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 163712867) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID163712867
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H25FN4O/c1-18-15-25-20(17-28-31(25)23-9-7-21(27)8-10-23)16-24(18)19-11-13-30(14-12-19)26(32)29-22-5-3-2-4-6-22/h2-10,15-17,19H,11-14H2,1H3,(H,29,32)
InChIKeyKKUTWHGRQLOTDL-UHFFFAOYSA-N
XLogP5.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide (CID 163712867) is 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is KKUTWHGRQLOTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-18-15-25-20(17-28-31(25)23-9-7-21(27)8-10-23)16-24(18)19-11-13-30(14-12-19)26(32)29-22-5-3-2-4-6-22/h2-10,15-17,19H,11-14H2,1H3,(H,29,32).
What are the key properties of 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide?
4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 163712867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).