(6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C22H26FN5O3 — CID 92744039

IUPAC(6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCCCC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H26FN5O3/c1-22(21(31)24-13-15-6-8-16(23)9-7-15)14-28-18(20(30)26(22)2)12-17(25-28)19(29)27-10-4-3-5-11-27/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,24,31)/t22-/m1/s1
InChIKeyCEGXGHSSZMRFAN-JOCHJYFZSA-N
MW427.48 g/mol
LogP1.81
Rot. Bonds4

About (6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92744039) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is (6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92744039
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC Name(6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCCCC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H26FN5O3/c1-22(21(31)24-13-15-6-8-16(23)9-7-15)14-28-18(20(30)26(22)2)12-17(25-28)19(29)27-10-4-3-5-11-27/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,24,31)/t22-/m1/s1
InChIKeyCEGXGHSSZMRFAN-JOCHJYFZSA-N
XLogP1.81
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50758686
5,6-dimethyl-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50758679
(6S)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743991
N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50758656
(6S)-2-N-[(3-fluorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744024
(6S)-5,6-dimethyl-N-(3-methylbutyl)-4-oxo-2-(pyrrolidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743722
(6S)-2-N-[(2-chlorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743911
(6R)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744022
(6R)-6-N-[(4-fluorophenyl)methyl]-2-N-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743928
6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278980
2-N-[(3-chlorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758753
2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278849

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92744039) is (6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CN1C(=O)c2cc(C(=O)N3CCCCC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is CEGXGHSSZMRFAN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26FN5O3/c1-22(21(31)24-13-15-6-8-16(23)9-7-15)14-28-18(20(30)26(22)2)12-17(25-28)19(29)27-10-4-3-5-11-27/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,24,31)/t22-/m1/s1.
What are the key properties of (6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92744039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).