(2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine

C18H19F5N4O — CID 144979128

About (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine

(2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine (PubChem CID 144979128) has the molecular formula C18H19F5N4O and a molecular weight of 402.37 g/mol. Its IUPAC name is (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine.

Molecular Properties

• Compound Name: (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine
• PubChem CID: 144979128
• Molecular Formula: C18H19F5N4O
• Molecular Weight: 402.37 g/mol
• Exact Mass: 402.15
• IUPAC Name: (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine
• SMILES: Cc1[nH]nc2c1CN(C1CC(N)[C@@H](c3cc(F)ccc3F)OC1C(F)(F)F)C2
• InChI: InChI=1S/C18H19F5N4O/c1-8-11-6-27(7-14(11)26-25-8)15-5-13(24)16(28-17(15)18(21,22)23)10-4-9(19)2-3-12(10)20/h2-4,13,15-17H,5-7,24H2,1H3,(H,25,26)/t13?,15?,16-,17?/m1/s1
• InChIKey: PDTRSLPPAPZMRN-XOJNLIDHSA-N
• XLogP: 3.10
• TPSA: 67.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.37
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine?

The IUPAC name of (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine (CID 144979128) is (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine.

What is the SMILES notation for (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine?

The canonical SMILES for (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine is Cc1[nH]nc2c1CN(C1CC(N)[C@@H](c3cc(F)ccc3F)OC1C(F)(F)F)C2.

What is the InChIKey of (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine?

The InChIKey is PDTRSLPPAPZMRN-XOJNLIDHSA-N. The full InChI is InChI=1S/C18H19F5N4O/c1-8-11-6-27(7-14(11)26-25-8)15-5-13(24)16(28-17(15)18(21,22)23)10-4-9(19)2-3-12(10)20/h2-4,13,15-17H,5-7,24H2,1H3,(H,25,26)/t13?,15?,16-,17?/m1/s1.

What are the key properties of (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine?

(2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine has a molecular weight of 402.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine is sourced from PubChem (CID 144979128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).