N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide

C26H26FN5O — CID 50797136

IUPACN-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H26FN5O/c1-18(19-7-9-22(27)10-8-19)29-26(33)21-11-14-31(15-12-21)25-24-17-23(20-5-3-2-4-6-20)30-32(24)16-13-28-25/h2-10,13,16-18,21H,11-12,14-15H2,1H3,(H,29,33)
InChIKeyKZOWLKNUCWJMKS-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.63
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide

N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (PubChem CID 50797136) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
PubChem CID50797136
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H26FN5O/c1-18(19-7-9-22(27)10-8-19)29-26(33)21-11-14-31(15-12-21)25-24-17-23(20-5-3-2-4-6-20)30-32(24)16-13-28-25/h2-10,13,16-18,21H,11-12,14-15H2,1H3,(H,29,33)
InChIKeyKZOWLKNUCWJMKS-UHFFFAOYSA-N
XLogP4.63
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (CID 50797136) is N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The InChIKey is KZOWLKNUCWJMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-18(19-7-9-22(27)10-8-19)29-26(33)21-11-14-31(15-12-21)25-24-17-23(20-5-3-2-4-6-20)30-32(24)16-13-28-25/h2-10,13,16-18,21H,11-12,14-15H2,1H3,(H,29,33).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50797136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).