(3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid

C20H18FN3O3 — CID 133118104

IUPAC(3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid
SMILESCc1cccc2nc(C(=O)N3C[C@H](C(=O)O)[C@@H](c4ccccc4)C3)c(F)n12
InChIInChI=1S/C20H18FN3O3/c1-12-6-5-9-16-22-17(18(21)24(12)16)19(25)23-10-14(15(11-23)20(26)27)13-7-3-2-4-8-13/h2-9,14-15H,10-11H2,1H3,(H,26,27)/t14-,15+/m1/s1
InChIKeyNKDLTTJGHLNYCF-CABCVRRESA-N
MW367.38 g/mol
LogP2.72
Rot. Bonds3

About (3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid

(3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid (PubChem CID 133118104) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is (3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid
PubChem CID133118104
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name(3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid
SMILESCc1cccc2nc(C(=O)N3C[C@H](C(=O)O)[C@@H](c4ccccc4)C3)c(F)n12
InChIInChI=1S/C20H18FN3O3/c1-12-6-5-9-16-22-17(18(21)24(12)16)19(25)23-10-14(15(11-23)20(26)27)13-7-3-2-4-8-13/h2-9,14-15H,10-11H2,1H3,(H,26,27)/t14-,15+/m1/s1
InChIKeyNKDLTTJGHLNYCF-CABCVRRESA-N
XLogP2.72
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-(4-methylthiadiazole-5-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 138039159
(3S,4S)-4-phenyl-1-(pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 167966048
(3S,4R)-1-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 70726253
(3R,4S)-1-(3-hydroxy-4-methylbenzoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 133114865
[(3aR,4S,6aS)-4-(2-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 166619804
(3S,4R)-1-(3-chlorobenzoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166330987
(3R,4S)-1-[3-(dimethylamino)benzoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 133113295
(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone;dihydrochloride
CID 154900960
1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 78086935
(3S,4R)-4-(4-fluorophenyl)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 70724055
(3R,4S)-1-(1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 133121572
(3S,4R)-1-(3-carboxybenzoyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 70708741

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid (CID 133118104) is (3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid is Cc1cccc2nc(C(=O)N3C[C@H](C(=O)O)[C@@H](c4ccccc4)C3)c(F)n12.
What is the InChIKey of (3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is NKDLTTJGHLNYCF-CABCVRRESA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-12-6-5-9-16-22-17(18(21)24(12)16)19(25)23-10-14(15(11-23)20(26)27)13-7-3-2-4-8-13/h2-9,14-15H,10-11H2,1H3,(H,26,27)/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid?
(3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 367.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 133118104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).