1-methyl-5-[2-[(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 136760477

IUPAC1-methyl-5-[2-[(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(C3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1
InChIInChI=1S/C21H26F3N5O2/c1-12(2)14-9-17(21(22,23)24)29-18(25-14)10-15(26-29)16-5-4-8-28(16)20(31)13-6-7-19(30)27(3)11-13/h6-7,10-12,14,16-17,25H,4-5,8-9H2,1-3H3/t14-,16?,17+/m0/s1
InChIKeyPERVCZPCHOYUTC-DRXWIORDSA-N
MW437.47 g/mol
LogP3.50
Rot. Bonds3

About 1-methyl-5-[2-[(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-[2-[(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 136760477) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-methyl-5-[2-[(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-[2-[(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 CID136760477
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC Name1-methyl-5-[2-[(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(C3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1
InChIInChI=1S/C21H26F3N5O2/c1-12(2)14-9-17(21(22,23)24)29-18(25-14)10-15(26-29)16-5-4-8-28(16)20(31)13-6-7-19(30)27(3)11-13/h6-7,10-12,14,16-17,25H,4-5,8-9H2,1-3H3/t14-,16?,17+/m0/s1
InChIKeyPERVCZPCHOYUTC-DRXWIORDSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[2-[(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-[2-[(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-[2-[(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 136760477) is 1-methyl-5-[2-[(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-[2-[(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-[2-[(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(C3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1.
What is the InChIKey of 1-methyl-5-[2-[(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 PERVCZPCHOYUTC-DRXWIORDSA-N. The full InChI is InChI=1S/C21H26F3N5O2/c1-12(2)14-9-17(21(22,23)24)29-18(25-14)10-15(26-29)16-5-4-8-28(16)20(31)13-6-7-19(30)27(3)11-13/h6-7,10-12,14,16-17,25H,4-5,8-9H2,1-3H3/t14-,16?,17+/m0/s1.
What are the key properties of 1-methyl-5-[2-[(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-[2-[(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 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[(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 136760477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).