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

C17H17F5N6O2 — CID 137452631

IUPAC(6S)-5-N-(2,6-difluoro-4-pyridinyl)-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)Nc1cc(F)nc(F)c1
InChIInChI=1S/C17H17F5N6O2/c1-8-6-28-12(11(5-23-28)15(29)24-9(2)17(20,21)22)7-27(8)16(30)25-10-3-13(18)26-14(19)4-10/h3-5,8-9H,6-7H2,1-2H3,(H,24,29)(H,25,26,30)/t8-,9+/m0/s1
InChIKeyUTJKKDOFZOYSIG-DTWKUNHWSA-N
MW432.35 g/mol
LogP2.67
Rot. Bonds3

About (6S)-5-N-(2,6-difluoro-4-pyridinyl)-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-(2,6-difluoro-4-pyridinyl)-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 137452631) has the molecular formula C17H17F5N6O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is (6S)-5-N-(2,6-difluoro-4-pyridinyl)-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-(2,6-difluoro-4-pyridinyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID137452631
Molecular FormulaC17H17F5N6O2
Molecular Weight432.35 g/mol
Exact Mass432.13
IUPAC Name(6S)-5-N-(2,6-difluoro-4-pyridinyl)-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)Nc1cc(F)nc(F)c1
InChIInChI=1S/C17H17F5N6O2/c1-8-6-28-12(11(5-23-28)15(29)24-9(2)17(20,21)22)7-27(8)16(30)25-10-3-13(18)26-14(19)4-10/h3-5,8-9H,6-7H2,1-2H3,(H,24,29)(H,25,26,30)/t8-,9+/m0/s1
InChIKeyUTJKKDOFZOYSIG-DTWKUNHWSA-N
XLogP2.67
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-5-N-(2,6-difluoro-4-pyridinyl)-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-(2,6-difluoro-4-pyridinyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 137452631) is (6S)-5-N-(2,6-difluoro-4-pyridinyl)-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-(2,6-difluoro-4-pyridinyl)-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-(2,6-difluoro-4-pyridinyl)-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)Nc1cc(F)nc(F)c1.
What is the InChIKey of (6S)-5-N-(2,6-difluoro-4-pyridinyl)-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 UTJKKDOFZOYSIG-DTWKUNHWSA-N. The full InChI is InChI=1S/C17H17F5N6O2/c1-8-6-28-12(11(5-23-28)15(29)24-9(2)17(20,21)22)7-27(8)16(30)25-10-3-13(18)26-14(19)4-10/h3-5,8-9H,6-7H2,1-2H3,(H,24,29)(H,25,26,30)/t8-,9+/m0/s1.
What are the key properties of (6S)-5-N-(2,6-difluoro-4-pyridinyl)-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-(2,6-difluoro-4-pyridinyl)-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 432.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-N-(2,6-difluoro-4-pyridinyl)-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 137452631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).