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

C19H23F3N4O3 — CID 153311206

IUPAC[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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(C3(C)CC3)nn2C)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C19H23F3N4O3/c1-10-8-26(16(27)11-7-13(23-25(11)4)17(2)5-6-17)9-12-14(10)15(24-29-12)18(3,28)19(20,21)22/h7,10,28H,5-6,8-9H2,1-4H3/t10-,18+/m0/s1
InChIKeyWYGPZNHUVVHVKK-XTZNXHDOSA-N
MW412.41 g/mol
LogP2.99
Rot. Bonds3

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

[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 153311206) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is [1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID153311206
Molecular FormulaC19H23F3N4O3
Molecular Weight412.41 g/mol
Exact Mass412.17
IUPAC Name[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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(C3(C)CC3)nn2C)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C19H23F3N4O3/c1-10-8-26(16(27)11-7-13(23-25(11)4)17(2)5-6-17)9-12-14(10)15(24-29-12)18(3,28)19(20,21)22/h7,10,28H,5-6,8-9H2,1-4H3/t10-,18+/m0/s1
InChIKeyWYGPZNHUVVHVKK-XTZNXHDOSA-N
XLogP2.99
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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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Related Compounds

1-cyclopropyl-5-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carbonyl]pyrazole-3-carbonitrile
CID 153311271
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
CID 153311207
[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 153311249
(1-methyl-3-phenylpyrazol-5-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propan-2-ol
CID 158216633
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 39891621
[7-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-oxa-4,9,10-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraen-11-yl] trifluoromethanesulfonate
CID 176720302
6-[1-methyl-5-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile
CID 155173317
6-[1-methyl-5-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile
CID 155173314
3-[(8S)-8-methyl-10-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,6,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-4-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 167497461
(2S)-1,1,1-trifluoro-2-[(8S)-8-methyl-4-(trifluoromethyl)-5,6,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-10-yl]propan-2-ol
CID 167497549
(3S,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951643
[3-(1-methylcyclopentyl)-1,2-oxazol-5-yl]urea
CID 68734787

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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 [1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone (CID 153311206) is [1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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 [1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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 [1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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(C3(C)CC3)nn2C)Cc2onc([C@@](C)(O)C(F)(F)F)c21.
What is the InChIKey of [1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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 WYGPZNHUVVHVKK-XTZNXHDOSA-N. The full InChI is InChI=1S/C19H23F3N4O3/c1-10-8-26(16(27)11-7-13(23-25(11)4)17(2)5-6-17)9-12-14(10)15(24-29-12)18(3,28)19(20,21)22/h7,10,28H,5-6,8-9H2,1-4H3/t10-,18+/m0/s1.
What are the key properties of [1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone?
[1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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 412.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(1-methylcyclopropyl)pyrazol-5-yl]-[(4R)-4-methyl-3-[(2R)-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 153311206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).