2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C22H28FN5O3 — CID 46278849

IUPAC2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)C1(C)Cn2nc(C(=O)NCc3ccc(F)cc3)cc2C(=O)N1C
InChIInChI=1S/C22H28FN5O3/c1-14(2)9-10-24-21(31)22(3)13-28-18(20(30)27(22)4)11-17(26-28)19(29)25-12-15-5-7-16(23)8-6-15/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,24,31)(H,25,29)
InChIKeyADYFDBUGWSZSNW-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.96
Rot. Bonds7

About 2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278849) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278849
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC Name2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)C1(C)Cn2nc(C(=O)NCc3ccc(F)cc3)cc2C(=O)N1C
InChIInChI=1S/C22H28FN5O3/c1-14(2)9-10-24-21(31)22(3)13-28-18(20(30)27(22)4)11-17(26-28)19(29)25-12-15-5-7-16(23)8-6-15/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,24,31)(H,25,29)
InChIKeyADYFDBUGWSZSNW-UHFFFAOYSA-N
XLogP1.96
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

(6S)-5,6-dimethyl-6-N-(3-methylbutyl)-2-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743740
5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278827
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
(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
(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
5,6-dimethyl-6-N-(3-methylbutyl)-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278872
(6R)-2-N-[(2-bromophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743687
5,6-dimethyl-6-N-(3-methylbutyl)-2-N-[2-(4-methylsulfanylphenyl)ethyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278871
(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
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
(6S)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92906062
(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

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 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) is 2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC(C)CCNC(=O)C1(C)Cn2nc(C(=O)NCc3ccc(F)cc3)cc2C(=O)N1C.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is ADYFDBUGWSZSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-14(2)9-10-24-21(31)22(3)13-28-18(20(30)27(22)4)11-17(26-28)19(29)25-12-15-5-7-16(23)8-6-15/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,24,31)(H,25,29).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 429.50 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).