N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide

C23H22FN5OS — CID 53086067

IUPACN-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1
InChIInChI=1S/C23H22FN5OS/c24-18-5-3-16(4-6-18)15-26-23(30)17-7-10-28(11-8-17)22-20-14-19(21-2-1-13-31-21)27-29(20)12-9-25-22/h1-6,9,12-14,17H,7-8,10-11,15H2,(H,26,30)
InChIKeyCDLDIQBMRGHJJA-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.13
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (PubChem CID 53086067) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
PubChem CID53086067
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1
InChIInChI=1S/C23H22FN5OS/c24-18-5-3-16(4-6-18)15-26-23(30)17-7-10-28(11-8-17)22-20-14-19(21-2-1-13-31-21)27-29(20)12-9-25-22/h1-6,9,12-14,17H,7-8,10-11,15H2,(H,26,30)
InChIKeyCDLDIQBMRGHJJA-UHFFFAOYSA-N
XLogP4.13
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (CID 53086067) is N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The InChIKey is CDLDIQBMRGHJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS/c24-18-5-3-16(4-6-18)15-26-23(30)17-7-10-28(11-8-17)22-20-14-19(21-2-1-13-31-21)27-29(20)12-9-25-22/h1-6,9,12-14,17H,7-8,10-11,15H2,(H,26,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53086067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).