2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide

C19H25FN4O2 — CID 78044727

IUPAC2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide
SMILESNC(=O)C1=CC(F)=CC2=NN(C3CCN(C4CCCCC4)CC3)C(=O)C12
InChIInChI=1S/C19H25FN4O2/c20-12-10-15(18(21)25)17-16(11-12)22-24(19(17)26)14-6-8-23(9-7-14)13-4-2-1-3-5-13/h10-11,13-14,17H,1-9H2,(H2,21,25)
InChIKeyYVVVQYDZIFSCJI-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.88
Rot. Bonds3

About 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide

2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide (PubChem CID 78044727) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide
PubChem CID78044727
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide
SMILESNC(=O)C1=CC(F)=CC2=NN(C3CCN(C4CCCCC4)CC3)C(=O)C12
InChIInChI=1S/C19H25FN4O2/c20-12-10-15(18(21)25)17-16(11-12)22-24(19(17)26)14-6-8-23(9-7-14)13-4-2-1-3-5-13/h10-11,13-14,17H,1-9H2,(H2,21,25)
InChIKeyYVVVQYDZIFSCJI-UHFFFAOYSA-N
XLogP1.88
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide?
The IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide (CID 78044727) is 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide.
What is the SMILES notation for 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide?
The canonical SMILES for 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide is NC(=O)C1=CC(F)=CC2=NN(C3CCN(C4CCCCC4)CC3)C(=O)C12.
What is the InChIKey of 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide?
The InChIKey is YVVVQYDZIFSCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c20-12-10-15(18(21)25)17-16(11-12)22-24(19(17)26)14-6-8-23(9-7-14)13-4-2-1-3-5-13/h10-11,13-14,17H,1-9H2,(H2,21,25).
What are the key properties of 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide?
2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-3-oxo-3aH-indazole-4-carboxamide is sourced from PubChem (CID 78044727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).