(4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C20H19F2N5O2 — CID 118479721

About (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

(4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118479721) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
• PubChem CID: 118479721
• Molecular Formula: C20H19F2N5O2
• Molecular Weight: 399.40 g/mol
• Exact Mass: 399.15
• IUPAC Name: (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
• SMILES: Cc1cc([C@H]2CN(C(=O)c3ccc(C4CC4)c(F)c3F)CCO2)n2ncnc2n1
• InChI: InChI=1S/C20H19F2N5O2/c1-11-8-15(27-20(25-11)23-10-24-27)16-9-26(6-7-29-16)19(28)14-5-4-13(12-2-3-12)17(21)18(14)22/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3/t16-/m1/s1
• InChIKey: QLEWKWWBZMDFRB-MRXNPFEDSA-N
• XLogP: 2.80
• TPSA: 72.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.40
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?

The IUPAC name of (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118479721) is (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

What is the SMILES notation for (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?

The canonical SMILES for (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc([C@H]2CN(C(=O)c3ccc(C4CC4)c(F)c3F)CCO2)n2ncnc2n1.

What is the InChIKey of (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?

The InChIKey is QLEWKWWBZMDFRB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-11-8-15(27-20(25-11)23-10-24-27)16-9-26(6-7-29-16)19(28)14-5-4-13(12-2-3-12)17(21)18(14)22/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3/t16-/m1/s1.

What are the key properties of (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?

(4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 399.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118479721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).