4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide

C23H27FN4O — CID 163589853

IUPAC4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C23H27FN4O/c1-15(2)26-23(29)27-10-8-17(9-11-27)21-13-18-14-25-28(22(18)12-16(21)3)20-6-4-19(24)5-7-20/h4-7,12-15,17H,8-11H2,1-3H3,(H,26,29)
InChIKeyGOPDIPPBCFSYOD-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.77
Rot. Bonds3

About 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide

4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 163589853) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID163589853
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C23H27FN4O/c1-15(2)26-23(29)27-10-8-17(9-11-27)21-13-18-14-25-28(22(18)12-16(21)3)20-6-4-19(24)5-7-20/h4-7,12-15,17H,8-11H2,1-3H3,(H,26,29)
InChIKeyGOPDIPPBCFSYOD-UHFFFAOYSA-N
XLogP4.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.77
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-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 163589853) is 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is GOPDIPPBCFSYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-15(2)26-23(29)27-10-8-17(9-11-27)21-13-18-14-25-28(22(18)12-16(21)3)20-6-4-19(24)5-7-20/h4-7,12-15,17H,8-11H2,1-3H3,(H,26,29).
What are the key properties of 4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 4.77, 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-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 163589853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).