2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C24H28F3N5O8 — CID 171670752

About 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 171670752) has the molecular formula C24H28F3N5O8 and a molecular weight of 571.51 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

• Compound Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
• PubChem CID: 171670752
• Molecular Formula: C24H28F3N5O8
• Molecular Weight: 571.51 g/mol
• Exact Mass: 571.19
• IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
• SMILES: C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCN3C(=O)c3ccccn3)cc2N1.O=C(O)CC(O)(CC(=O)O)C(=O)O
• InChI: InChI=1S/C18H20F3N5O.C6H8O7/c1-11-9-15(18(19,20)21)26-16(23-11)10-13(24-26)14-6-4-8-25(14)17(27)12-5-2-3-7-22-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,5,7,10-11,14-15,23H,4,6,8-9H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,14?,15-;/m1./s1
• InChIKey: YGJMZMSAKKAJIJ-UIWNWEPVSA-N
• XLogP: 2.31
• TPSA: 195.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.51
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?

The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 171670752) is 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?

The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCN3C(=O)c3ccccn3)cc2N1.O=C(O)CC(O)(CC(=O)O)C(=O)O.

What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?

The InChIKey is YGJMZMSAKKAJIJ-UIWNWEPVSA-N. The full InChI is InChI=1S/C18H20F3N5O.C6H8O7/c1-11-9-15(18(19,20)21)26-16(23-11)10-13(24-26)14-6-4-8-25(14)17(27)12-5-2-3-7-22-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,5,7,10-11,14-15,23H,4,6,8-9H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,14?,15-;/m1./s1.

What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?

2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 571.51 g/mol, XLogP of 2.31, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;[2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 171670752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).