1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one

C21H26F3N5O2 — CID 136761202

IUPAC1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)c4ccc(=O)n(C)c4)C3)cc2N1
InChIInChI=1S/C21H26F3N5O2/c1-12(2)15-8-17(21(22,23)24)29-18(25-15)9-16(26-29)13-6-7-28(11-13)20(31)14-4-5-19(30)27(3)10-14/h4-5,9-10,12-13,15,17,25H,6-8,11H2,1-3H3/t13?,15-,17+/m0/s1
InChIKeyGLKGXUYOGMLVGH-BOBJKBKNSA-N
MW437.47 g/mol
LogP3.16
Rot. Bonds3

About 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one

1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 136761202) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
PubChem CID136761202
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC Name1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)c4ccc(=O)n(C)c4)C3)cc2N1
InChIInChI=1S/C21H26F3N5O2/c1-12(2)15-8-17(21(22,23)24)29-18(25-15)9-16(26-29)13-6-7-28(11-13)20(31)14-4-5-19(30)27(3)10-14/h4-5,9-10,12-13,15,17,25H,6-8,11H2,1-3H3/t13?,15-,17+/m0/s1
InChIKeyGLKGXUYOGMLVGH-BOBJKBKNSA-N
XLogP3.16
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one (CID 136761202) is 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one is CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)c4ccc(=O)n(C)c4)C3)cc2N1.
What is the InChIKey of 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one?
The InChIKey is GLKGXUYOGMLVGH-BOBJKBKNSA-N. The full InChI is InChI=1S/C21H26F3N5O2/c1-12(2)15-8-17(21(22,23)24)29-18(25-15)9-16(26-29)13-6-7-28(11-13)20(31)14-4-5-19(30)27(3)10-14/h4-5,9-10,12-13,15,17,25H,6-8,11H2,1-3H3/t13?,15-,17+/m0/s1.
What are the key properties of 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one?
1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 437.47 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 136761202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).