3-cyclopropyl-1-methyl-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-4-carbonitrile

C19H20F3N5O3 — CID 146964652

IUPAC3-cyclopropyl-1-methyl-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-4-carbonitrile
SMILESC[C@H]1CN(C(=O)c2c(C#N)c(C3CC3)nn2C)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C19H20F3N5O3/c1-9-7-27(8-12-13(9)16(25-30-12)18(2,29)19(20,21)22)17(28)15-11(6-23)14(10-4-5-10)24-26(15)3/h9-10,29H,4-5,7-8H2,1-3H3/t9-,18+/m0/s1
InChIKeyALGJUBJEQALNFZ-NIVTXAMTSA-N
MW423.40 g/mol
LogP2.69
Rot. Bonds3

About 3-cyclopropyl-1-methyl-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-4-carbonitrile

3-cyclopropyl-1-methyl-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-4-carbonitrile (PubChem CID 146964652) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-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-4-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-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-4-carbonitrile
PubChem CID146964652
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC Name3-cyclopropyl-1-methyl-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-4-carbonitrile
SMILESC[C@H]1CN(C(=O)c2c(C#N)c(C3CC3)nn2C)Cc2onc([C@@](C)(O)C(F)(F)F)c21
InChIInChI=1S/C19H20F3N5O3/c1-9-7-27(8-12-13(9)16(25-30-12)18(2,29)19(20,21)22)17(28)15-11(6-23)14(10-4-5-10)24-26(15)3/h9-10,29H,4-5,7-8H2,1-3H3/t9-,18+/m0/s1
InChIKeyALGJUBJEQALNFZ-NIVTXAMTSA-N
XLogP2.69
TPSA108.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-1-methyl-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-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-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-4-carbonitrile?
The IUPAC name of 3-cyclopropyl-1-methyl-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-4-carbonitrile (CID 146964652) is 3-cyclopropyl-1-methyl-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-4-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-1-methyl-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-4-carbonitrile?
The canonical SMILES for 3-cyclopropyl-1-methyl-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-4-carbonitrile is C[C@H]1CN(C(=O)c2c(C#N)c(C3CC3)nn2C)Cc2onc([C@@](C)(O)C(F)(F)F)c21.
What is the InChIKey of 3-cyclopropyl-1-methyl-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-4-carbonitrile?
The InChIKey is ALGJUBJEQALNFZ-NIVTXAMTSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-9-7-27(8-12-13(9)16(25-30-12)18(2,29)19(20,21)22)17(28)15-11(6-23)14(10-4-5-10)24-26(15)3/h9-10,29H,4-5,7-8H2,1-3H3/t9-,18+/m0/s1.
What are the key properties of 3-cyclopropyl-1-methyl-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-4-carbonitrile?
3-cyclopropyl-1-methyl-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-4-carbonitrile has a molecular weight of 423.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-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-4-carbonitrile is sourced from PubChem (CID 146964652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).