7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile

C19H20F3N7O2 — CID 166178165

About 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile

7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 166178165) has the molecular formula C19H20F3N7O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
• PubChem CID: 166178165
• Molecular Formula: C19H20F3N7O2
• Molecular Weight: 435.41 g/mol
• Exact Mass: 435.16
• IUPAC Name: 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
• SMILES: C[C@H]1COC[C@@H]1n1c(C#N)cc2cnc(Nc3cn(C)nc3O[C@H](C)C(F)(F)F)nc21
• InChI: InChI=1S/C19H20F3N7O2/c1-10-8-30-9-15(10)29-13(5-23)4-12-6-24-18(26-16(12)29)25-14-7-28(3)27-17(14)31-11(2)19(20,21)22/h4,6-7,10-11,15H,8-9H2,1-3H3,(H,24,25,26)/t10-,11+,15-/m0/s1
• InChIKey: RBWSLHQOUXMQAA-RWSFTLGLSA-N
• XLogP: 3.32
• TPSA: 102.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.41
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?

The IUPAC name of 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile (CID 166178165) is 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile.

What is the SMILES notation for 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?

The canonical SMILES for 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile is C[C@H]1COC[C@@H]1n1c(C#N)cc2cnc(Nc3cn(C)nc3O[C@H](C)C(F)(F)F)nc21.

What is the InChIKey of 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?

The InChIKey is RBWSLHQOUXMQAA-RWSFTLGLSA-N. The full InChI is InChI=1S/C19H20F3N7O2/c1-10-8-30-9-15(10)29-13(5-23)4-12-6-24-18(26-16(12)29)25-14-7-28(3)27-17(14)31-11(2)19(20,21)22/h4,6-7,10-11,15H,8-9H2,1-3H3,(H,24,25,26)/t10-,11+,15-/m0/s1.

What are the key properties of 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile?

7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 435.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3R,4R)-4-methyloxolan-3-yl]-2-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 166178165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).