(3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide

C20H23F3N4O — CID 167906083

IUPAC(3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CN(Cc2c(C(F)(F)F)nc3n2CCCC3)C[C@H]1c1ccccc1
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)18-16(27-9-5-4-8-17(27)25-18)12-26-10-14(15(11-26)19(24)28)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H2,24,28)/t14-,15+/m0/s1
InChIKeyHHTBQPCLBBEYDG-LSDHHAIUSA-N
MW392.43 g/mol
LogP2.94
Rot. Bonds4

About (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide

(3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 167906083) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID167906083
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name(3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CN(Cc2c(C(F)(F)F)nc3n2CCCC3)C[C@H]1c1ccccc1
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)18-16(27-9-5-4-8-17(27)25-18)12-26-10-14(15(11-26)19(24)28)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H2,24,28)/t14-,15+/m0/s1
InChIKeyHHTBQPCLBBEYDG-LSDHHAIUSA-N
XLogP2.94
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
CID 91662836
(3R,4S)-1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 138055711
(3S,4R)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166253500
(3R,4S)-1-[(4-methyl-3-nitrophenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 154764645
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 125453739
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid;ethane;iodoethane
CID 123682469
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
2-phenylcyclobutane-1-carboxamide
CID 132565333
phenyl(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanamine;2,2,2-trifluoroacetic acid
CID 167840757
ethyl (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
CID 12922289
(3S,4S)-4-(trifluoromethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 120942811

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide (CID 167906083) is (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CN(Cc2c(C(F)(F)F)nc3n2CCCC3)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is HHTBQPCLBBEYDG-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H23F3N4O/c21-20(22,23)18-16(27-9-5-4-8-17(27)25-18)12-26-10-14(15(11-26)19(24)28)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H2,24,28)/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide?
(3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 167906083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).