(5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone

C17H19F3N4O3 — CID 155173398

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)Cc2onc(C(C)(O)C(F)(F)F)c21
InChIInChI=1S/C17H19F3N4O3/c1-8-6-24(15(25)11-5-10(21-22-11)9-3-4-9)7-12-13(8)14(23-27-12)16(2,26)17(18,19)20/h5,8-9,26H,3-4,6-7H2,1-2H3,(H,21,22)/t8-,16?/m0/s1
InChIKeyYANYTYPXWFMHEC-UOCSPZAXSA-N
MW384.36 g/mol
LogP2.80
Rot. Bonds3

About (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 155173398) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID155173398
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)Cc2onc(C(C)(O)C(F)(F)F)c21
InChIInChI=1S/C17H19F3N4O3/c1-8-6-24(15(25)11-5-10(21-22-11)9-3-4-9)7-12-13(8)14(23-27-12)16(2,26)17(18,19)20/h5,8-9,26H,3-4,6-7H2,1-2H3,(H,21,22)/t8-,16?/m0/s1
InChIKeyYANYTYPXWFMHEC-UOCSPZAXSA-N
XLogP2.80
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone (CID 155173398) is (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone is C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)Cc2onc(C(C)(O)C(F)(F)F)c21.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is YANYTYPXWFMHEC-UOCSPZAXSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-8-6-24(15(25)11-5-10(21-22-11)9-3-4-9)7-12-13(8)14(23-27-12)16(2,26)17(18,19)20/h5,8-9,26H,3-4,6-7H2,1-2H3,(H,21,22)/t8-,16?/m0/s1.
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 384.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[(4R)-4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 155173398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).