1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide

C25H24ClFN4O2 — CID 69453741

IUPAC1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2)c2c1COCC2=Cc1ccc(F)cc1
InChIInChI=1S/C25H24ClFN4O2/c26-19-6-10-21(11-7-19)31-24-18(14-17-4-8-20(27)9-5-17)15-33-16-22(24)23(28-31)25(32)29-30-12-2-1-3-13-30/h4-11,14H,1-3,12-13,15-16H2,(H,29,32)
InChIKeyPLPNQDDLXAQETP-UHFFFAOYSA-N
MW466.94 g/mol
LogP4.87
Rot. Bonds4

About 1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide

1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide (PubChem CID 69453741) has the molecular formula C25H24ClFN4O2 and a molecular weight of 466.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide
PubChem CID69453741
Molecular FormulaC25H24ClFN4O2
Molecular Weight466.94 g/mol
Exact Mass466.16
IUPAC Name1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2)c2c1COCC2=Cc1ccc(F)cc1
InChIInChI=1S/C25H24ClFN4O2/c26-19-6-10-21(11-7-19)31-24-18(14-17-4-8-20(27)9-5-17)15-33-16-22(24)23(28-31)25(32)29-30-12-2-1-3-13-30/h4-11,14H,1-3,12-13,15-16H2,(H,29,32)
InChIKeyPLPNQDDLXAQETP-UHFFFAOYSA-N
XLogP4.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide (CID 69453741) is 1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide is O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2)c2c1COCC2=Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide?
The InChIKey is PLPNQDDLXAQETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O2/c26-19-6-10-21(11-7-19)31-24-18(14-17-4-8-20(27)9-5-17)15-33-16-22(24)23(28-31)25(32)29-30-12-2-1-3-13-30/h4-11,14H,1-3,12-13,15-16H2,(H,29,32).
What are the key properties of 1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide?
1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide has a molecular weight of 466.94 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 69453741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).