3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C21H26F3N5O2 — CID 136760499

IUPAC3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCN3C(=O)c3c(C)cc(C)[nH]c3=O)cc2N1
InChIInChI=1S/C21H26F3N5O2/c1-4-13-9-16(21(22,23)24)29-17(26-13)10-14(27-29)15-6-5-7-28(15)20(31)18-11(2)8-12(3)25-19(18)30/h8,10,13,15-16,26H,4-7,9H2,1-3H3,(H,25,30)/t13-,15?,16-/m1/s1
InChIKeyRWUPGZRYMSJLLC-YAELJHOLSA-N
MW437.47 g/mol
LogP3.86
Rot. Bonds3

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

3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 136760499) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID136760499
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC Name3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCN3C(=O)c3c(C)cc(C)[nH]c3=O)cc2N1
InChIInChI=1S/C21H26F3N5O2/c1-4-13-9-16(21(22,23)24)29-17(26-13)10-14(27-29)15-6-5-7-28(15)20(31)18-11(2)8-12(3)25-19(18)30/h8,10,13,15-16,26H,4-7,9H2,1-3H3,(H,25,30)/t13-,15?,16-/m1/s1
InChIKeyRWUPGZRYMSJLLC-YAELJHOLSA-N
XLogP3.86
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]butan-1-one
CID 136761299
2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 136761302
1-[4-[(5S,7R)-2-tert-butyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 136760723
6-Fluoro-4a-methyl-2-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]benzimidazole-8-carboxamide
CID 163430671
3-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)ethyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171780668
3-[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 95849566
3-[(2R)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 95849567
3-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 110242791
cyclopropyl-[(3R)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 135963330
cyclopropyl-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 135963331
1-[(3R)-3-[(5S,7R)-5-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 135963546
1-[(3S)-3-[(5S,7R)-5-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 135963547

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 136760499) is 3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCN3C(=O)c3c(C)cc(C)[nH]c3=O)cc2N1.
What is the InChIKey of 3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is RWUPGZRYMSJLLC-YAELJHOLSA-N. The full InChI is InChI=1S/C21H26F3N5O2/c1-4-13-9-16(21(22,23)24)29-17(26-13)10-14(27-29)15-6-5-7-28(15)20(31)18-11(2)8-12(3)25-19(18)30/h8,10,13,15-16,26H,4-7,9H2,1-3H3,(H,25,30)/t13-,15?,16-/m1/s1.
What are the key properties of 3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 437.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 136760499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).