3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C22H18F2N6O2 — CID 122639783

IUPAC3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cc(F)cc(-c2nn3c(c2C(=O)Nc2ccc(C#N)c(F)c2)CN(C(N)=O)CC3)c1
InChIInChI=1S/C22H18F2N6O2/c1-12-6-14(8-15(23)7-12)20-19(18-11-29(22(26)32)4-5-30(18)28-20)21(31)27-16-3-2-13(10-25)17(24)9-16/h2-3,6-9H,4-5,11H2,1H3,(H2,26,32)(H,27,31)
InChIKeyMFPACIKEIFXHKF-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.15
Rot. Bonds3

About 3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122639783) has the molecular formula C22H18F2N6O2 and a molecular weight of 436.42 g/mol. Its IUPAC name is 3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122639783
Molecular FormulaC22H18F2N6O2
Molecular Weight436.42 g/mol
Exact Mass436.15
IUPAC Name3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cc(F)cc(-c2nn3c(c2C(=O)Nc2ccc(C#N)c(F)c2)CN(C(N)=O)CC3)c1
InChIInChI=1S/C22H18F2N6O2/c1-12-6-14(8-15(23)7-12)20-19(18-11-29(22(26)32)4-5-30(18)28-20)21(31)27-16-3-2-13(10-25)17(24)9-16/h2-3,6-9H,4-5,11H2,1H3,(H2,26,32)(H,27,31)
InChIKeyMFPACIKEIFXHKF-UHFFFAOYSA-N
XLogP3.15
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(4-cyano-3-methylphenyl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639726
3-N-(4-cyano-3-methylphenyl)-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639678
3-N-(3-chloro-4-cyanophenyl)-2-(4-fluoro-2-methylindazol-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639679
5-N-(4-cyano-3-methylphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085544
3-N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118060741
3-N-(4-cyanophenyl)-2-(3-methylsulfonylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639718
2-(7-chloro-1,3-dimethylindazol-5-yl)-3-N-(4-cyanophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639788
3-N-(1,3-benzothiazol-6-yl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639820
5-N-(3-chloro-4-cyanophenyl)-2-(7-chloro-3-methyl-2H-indazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650896
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085690
2-(3,5-dichloro-4-fluorophenyl)-5-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085506
5-N-(4-cyanophenyl)-2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650856

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122639783) is 3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1cc(F)cc(-c2nn3c(c2C(=O)Nc2ccc(C#N)c(F)c2)CN(C(N)=O)CC3)c1.
What is the InChIKey of 3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MFPACIKEIFXHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O2/c1-12-6-14(8-15(23)7-12)20-19(18-11-29(22(26)32)4-5-30(18)28-20)21(31)27-16-3-2-13(10-25)17(24)9-16/h2-3,6-9H,4-5,11H2,1H3,(H2,26,32)(H,27,31).
What are the key properties of 3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 436.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-cyano-3-fluorophenyl)-2-(3-fluoro-5-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122639783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).