(6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C19H18F4N6O2 — CID 137452620

IUPAC(6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESC[C@H]1Cn2ncc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C19H18F4N6O2/c1-10-8-29-16(14(7-25-29)17(30)26-11(2)19(21,22)23)9-28(10)18(31)27-13-3-4-15(20)12(5-13)6-24/h3-5,7,10-11H,8-9H2,1-2H3,(H,26,30)(H,27,31)/t10-,11+/m0/s1
InChIKeyQZXWKKLIJABSJL-WDEREUQCSA-N
MW438.39 g/mol
LogP3.01
Rot. Bonds3

About (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

(6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 137452620) has the molecular formula C19H18F4N6O2 and a molecular weight of 438.39 g/mol. Its IUPAC name is (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name(6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID137452620
Molecular FormulaC19H18F4N6O2
Molecular Weight438.39 g/mol
Exact Mass438.14
IUPAC Name(6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESC[C@H]1Cn2ncc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C19H18F4N6O2/c1-10-8-29-16(14(7-25-29)17(30)26-11(2)19(21,22)23)9-28(10)18(31)27-13-3-4-15(20)12(5-13)6-24/h3-5,7,10-11H,8-9H2,1-2H3,(H,26,30)(H,27,31)/t10-,11+/m0/s1
InChIKeyQZXWKKLIJABSJL-WDEREUQCSA-N
XLogP3.01
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 137452620) is (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is C[C@H]1Cn2ncc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is QZXWKKLIJABSJL-WDEREUQCSA-N. The full InChI is InChI=1S/C19H18F4N6O2/c1-10-8-29-16(14(7-25-29)17(30)26-11(2)19(21,22)23)9-28(10)18(31)27-13-3-4-15(20)12(5-13)6-24/h3-5,7,10-11H,8-9H2,1-2H3,(H,26,30)(H,27,31)/t10-,11+/m0/s1.
What are the key properties of (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
(6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 438.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-N-(3-cyano-4-fluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 137452620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).