ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C25H36FN5O — CID 143965312

IUPACethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC.CC.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C21H24FN5O.2C2H6/c1-2-19(14-4-3-9-23-10-14)26-21(28)18-11-24-13-20-17(18)12-25-27(20)16-7-5-15(22)6-8-16;2*1-2/h5-8,11-14,19,23H,2-4,9-10H2,1H3,(H,26,28);2*1-2H3
InChIKeyFPYZAVFPNAEBDH-UHFFFAOYSA-N
MW441.60 g/mol
LogP5.12
Rot. Bonds5

About ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide

ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 143965312) has the molecular formula C25H36FN5O and a molecular weight of 441.60 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Nameethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID143965312
Molecular FormulaC25H36FN5O
Molecular Weight441.60 g/mol
Exact Mass441.29
IUPAC Nameethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC.CC.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C21H24FN5O.2C2H6/c1-2-19(14-4-3-9-23-10-14)26-21(28)18-11-24-13-20-17(18)12-25-27(20)16-7-5-15(22)6-8-16;2*1-2/h5-8,11-14,19,23H,2-4,9-10H2,1H3,(H,26,28);2*1-2H3
InChIKeyFPYZAVFPNAEBDH-UHFFFAOYSA-N
XLogP5.12
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 143965312) is ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CC.CC.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCNC1.
What is the InChIKey of ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is FPYZAVFPNAEBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O.2C2H6/c1-2-19(14-4-3-9-23-10-14)26-21(28)18-11-24-13-20-17(18)12-25-27(20)16-7-5-15(22)6-8-16;2*1-2/h5-8,11-14,19,23H,2-4,9-10H2,1H3,(H,26,28);2*1-2H3.
What are the key properties of ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 143965312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).