(4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C20H19F3N4O2 — CID 118401285

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(C(F)(F)F)cc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H19F3N4O2/c1-11(13-7-18(28)24-9-13)29-19-15-10-27(2)26-17(15)8-16(25-19)12-3-5-14(6-4-12)20(21,22)23/h3-6,8,10-11,13H,7,9H2,1-2H3,(H,24,28)/t11-,13-/m1/s1
InChIKeyKTCRQZYFWLKHCK-DGCLKSJQSA-N
MW404.39 g/mol
LogP3.56
Rot. Bonds4

About (4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401285) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401285
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(C(F)(F)F)cc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H19F3N4O2/c1-11(13-7-18(28)24-9-13)29-19-15-10-27(2)26-17(15)8-16(25-19)12-3-5-14(6-4-12)20(21,22)23/h3-6,8,10-11,13H,7,9H2,1-2H3,(H,24,28)/t11-,13-/m1/s1
InChIKeyKTCRQZYFWLKHCK-DGCLKSJQSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401285) is (4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccc(C(F)(F)F)cc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is KTCRQZYFWLKHCK-DGCLKSJQSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-11(13-7-18(28)24-9-13)29-19-15-10-27(2)26-17(15)8-16(25-19)12-3-5-14(6-4-12)20(21,22)23/h3-6,8,10-11,13H,7,9H2,1-2H3,(H,24,28)/t11-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 404.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).