AWATYUOVZOQYJH-ZDUSSCGKSA-N

Name: AWATYUOVZOQYJH-ZDUSSCGKSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₁₉F₃N₆O₂ — CID 118694406

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(7S)-7-methyl-3-[5-[6-(methylamino)-3-pyridinyl]-1,2-oxazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

SMILESCNc1ccc(-c2cc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)C[C@@H]4C)no2)cn1

InChIInChI=1S/C23H19F3N6O2/c1-13-12-31(16-6-4-15(5-7-16)23(24,25)26)22(33)21-17(11-29-32(13)21)18-9-19(34-30-18)14-3-8-20(27-2)28-10-14/h3-11,13H,12H2,1-2H3,(H,27,28)/t13-/m0/s1

InChIKeyAWATYUOVZOQYJH-ZDUSSCGKSA-N

MW468.44 g/mol

LogP4.88

Rot. Bonds4

About AWATYUOVZOQYJH-ZDUSSCGKSA-N

AWATYUOVZOQYJH-ZDUSSCGKSA-N (PubChem CID 118694406) has the molecular formula C₂₃H₁₉F₃N₆O₂ and a molecular weight of 468.44 g/mol. Its IUPAC name is (7S)-7-methyl-3-[5-[6-(methylamino)-3-pyridinyl]-1,2-oxazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name	AWATYUOVZOQYJH-ZDUSSCGKSA-N
PubChem CID	118694406
Molecular Formula	C₂₃H₁₉F₃N₆O₂
Molecular Weight	468.44 g/mol
Exact Mass	468.15
IUPAC Name	(7S)-7-methyl-3-[5-[6-(methylamino)-3-pyridinyl]-1,2-oxazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILES	CNc1ccc(-c2cc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)C[C@@H]4C)no2)cn1
InChI	InChI=1S/C23H19F3N6O2/c1-13-12-31(16-6-4-15(5-7-16)23(24,25)26)22(33)21-17(11-29-32(13)21)18-9-19(34-30-18)14-3-8-20(27-2)28-10-14/h3-11,13H,12H2,1-2H3,(H,27,28)/t13-/m0/s1
InChIKey	AWATYUOVZOQYJH-ZDUSSCGKSA-N
XLogP	4.88
TPSA	89.08 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.44
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of AWATYUOVZOQYJH-ZDUSSCGKSA-N?

The IUPAC name of AWATYUOVZOQYJH-ZDUSSCGKSA-N (CID 118694406) is (7S)-7-methyl-3-[5-[6-(methylamino)-3-pyridinyl]-1,2-oxazol-3-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for AWATYUOVZOQYJH-ZDUSSCGKSA-N?

The canonical SMILES for AWATYUOVZOQYJH-ZDUSSCGKSA-N is CNc1ccc(-c2cc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)C[C@@H]4C)no2)cn1.

What is the InChIKey of AWATYUOVZOQYJH-ZDUSSCGKSA-N?

The InChIKey is AWATYUOVZOQYJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-13-12-31(16-6-4-15(5-7-16)23(24,25)26)22(33)21-17(11-29-32(13)21)18-9-19(34-30-18)14-3-8-20(27-2)28-10-14/h3-11,13H,12H2,1-2H3,(H,27,28)/t13-/m0/s1.

What are the key properties of AWATYUOVZOQYJH-ZDUSSCGKSA-N?

AWATYUOVZOQYJH-ZDUSSCGKSA-N has a molecular weight of 468.44 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for AWATYUOVZOQYJH-ZDUSSCGKSA-N is sourced from PubChem (CID 118694406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118694406 — identifiers, structure, computed properties (public domain)

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