1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C23H22FN5O2 — CID 46346456

IUPAC1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C23H22FN5O2/c24-18-5-3-16(4-6-18)20-14-21-22(25-9-12-29(21)27-20)28-10-7-17(8-11-28)23(30)26-15-19-2-1-13-31-19/h1-6,9,12-14,17H,7-8,10-11,15H2,(H,26,30)
InChIKeyWDTOMAJNPFRERK-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.66
Rot. Bonds5

About 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 46346456) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID46346456
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C23H22FN5O2/c24-18-5-3-16(4-6-18)20-14-21-22(25-9-12-29(21)27-20)28-10-7-17(8-11-28)23(30)26-15-19-2-1-13-31-19/h1-6,9,12-14,17H,7-8,10-11,15H2,(H,26,30)
InChIKeyWDTOMAJNPFRERK-UHFFFAOYSA-N
XLogP3.66
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 46346456) is 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is WDTOMAJNPFRERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c24-18-5-3-16(4-6-18)20-14-21-22(25-9-12-29(21)27-20)28-10-7-17(8-11-28)23(30)26-15-19-2-1-13-31-19/h1-6,9,12-14,17H,7-8,10-11,15H2,(H,26,30).
What are the key properties of 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46346456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).