N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

C25H22ClF2N5O — CID 50797416

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C25H22ClF2N5O/c26-20-13-16(1-6-21(20)28)15-30-25(34)18-7-10-32(11-8-18)24-23-14-22(31-33(23)12-9-29-24)17-2-4-19(27)5-3-17/h1-6,9,12-14,18H,7-8,10-11,15H2,(H,30,34)
InChIKeyQVFRYRCVJOMHNY-UHFFFAOYSA-N
MW481.93 g/mol
LogP4.86
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (PubChem CID 50797416) has the molecular formula C25H22ClF2N5O and a molecular weight of 481.93 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
PubChem CID50797416
Molecular FormulaC25H22ClF2N5O
Molecular Weight481.93 g/mol
Exact Mass481.15
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C25H22ClF2N5O/c26-20-13-16(1-6-21(20)28)15-30-25(34)18-7-10-32(11-8-18)24-23-14-22(31-33(23)12-9-29-24)17-2-4-19(27)5-3-17/h1-6,9,12-14,18H,7-8,10-11,15H2,(H,30,34)
InChIKeyQVFRYRCVJOMHNY-UHFFFAOYSA-N
XLogP4.86
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.93
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073624
N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797333
(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92892088
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 50797159
N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797420
N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 50797136
1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20962102
1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 50797278
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 53085986
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(3,5-difluorophenyl)methyl]piperidine-3-carboxamide
CID 95073759
(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92892068
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892125

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (CID 50797416) is N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The InChIKey is QVFRYRCVJOMHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N5O/c26-20-13-16(1-6-21(20)28)15-30-25(34)18-7-10-32(11-8-18)24-23-14-22(31-33(23)12-9-29-24)17-2-4-19(27)5-3-17/h1-6,9,12-14,18H,7-8,10-11,15H2,(H,30,34).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide has a molecular weight of 481.93 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50797416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).