[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

C28H22F4N6O — CID 170977836

IUPAC[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESO=C(c1c(-c2ccccc2)nc2cc(C(F)(F)F)ccn12)N1CCCC1Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C28H22F4N6O/c29-20-8-9-22(33-16-20)23-11-13-36(35-23)17-21-7-4-12-37(21)27(39)26-25(18-5-2-1-3-6-18)34-24-15-19(28(30,31)32)10-14-38(24)26/h1-3,5-6,8-11,13-16,21H,4,7,12,17H2
InChIKeyOKHBUJYAVZGTMS-UHFFFAOYSA-N
MW534.52 g/mol
LogP5.72
Rot. Bonds5

About [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 170977836) has the molecular formula C28H22F4N6O and a molecular weight of 534.52 g/mol. Its IUPAC name is [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID170977836
Molecular FormulaC28H22F4N6O
Molecular Weight534.52 g/mol
Exact Mass534.18
IUPAC Name[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESO=C(c1c(-c2ccccc2)nc2cc(C(F)(F)F)ccn12)N1CCCC1Cn1ccc(-c2ccc(F)cn2)n1
InChIInChI=1S/C28H22F4N6O/c29-20-8-9-22(33-16-20)23-11-13-36(35-23)17-21-7-4-12-37(21)27(39)26-25(18-5-2-1-3-6-18)34-24-15-19(28(30,31)32)10-14-38(24)26/h1-3,5-6,8-11,13-16,21H,4,7,12,17H2
InChIKeyOKHBUJYAVZGTMS-UHFFFAOYSA-N
XLogP5.72
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.52
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 170977783
[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 151352365
(3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 170977406
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;methane;3-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazole;hydrofluoride
CID 167700329
1-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 170978132
[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82530079
(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
CID 155383470
2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;(2S)-2-[(4-pyridin-2-ylpyrazol-1-yl)methyl]azepane
CID 170977614
[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[(2S)-2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 155735371
(3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 170977887
[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-2-yl)methanone
CID 170977597
[(2S)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 97415016

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 170977836) is [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is O=C(c1c(-c2ccccc2)nc2cc(C(F)(F)F)ccn12)N1CCCC1Cn1ccc(-c2ccc(F)cn2)n1.
What is the InChIKey of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is OKHBUJYAVZGTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F4N6O/c29-20-8-9-22(33-16-20)23-11-13-36(35-23)17-21-7-4-12-37(21)27(39)26-25(18-5-2-1-3-6-18)34-24-15-19(28(30,31)32)10-14-38(24)26/h1-3,5-6,8-11,13-16,21H,4,7,12,17H2.
What are the key properties of [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
[2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 534.52 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]-[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 170977836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).