(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C28H25N5O — CID 170977783

IUPAC(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1c(-c2ccccc2)nc2ccccn12)N1CCC[C@H]1Cn1cnc(-c2ccccc2)c1
InChIInChI=1S/C28H25N5O/c34-28(27-26(22-12-5-2-6-13-22)30-25-15-7-8-16-33(25)27)32-17-9-14-23(32)18-31-19-24(29-20-31)21-10-3-1-4-11-21/h1-8,10-13,15-16,19-20,23H,9,14,17-18H2/t23-/m0/s1
InChIKeyOCYFJAYBTRGVGH-QHCPKHFHSA-N
MW447.54 g/mol
LogP5.17
Rot. Bonds5

About (2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 170977783) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is (2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID170977783
Molecular FormulaC28H25N5O
Molecular Weight447.54 g/mol
Exact Mass447.21
IUPAC Name(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1c(-c2ccccc2)nc2ccccn12)N1CCC[C@H]1Cn1cnc(-c2ccccc2)c1
InChIInChI=1S/C28H25N5O/c34-28(27-26(22-12-5-2-6-13-22)30-25-15-7-8-16-33(25)27)32-17-9-14-23(32)18-31-19-24(29-20-31)21-10-3-1-4-11-21/h1-8,10-13,15-16,19-20,23H,9,14,17-18H2/t23-/m0/s1
InChIKeyOCYFJAYBTRGVGH-QHCPKHFHSA-N
XLogP5.17
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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
(2-phenylimidazo[1,2-a]pyridin-3-yl)-pyrrolidin-1-ylmethanone
CID 155383445
(3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 170977406
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347227
2-[[1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925277
(2R)-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119934738
(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 96578369
[2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59727234
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
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 66261240
deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide
CID 167537827
(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
CID 155383470

Frequently Asked Questions

What is the IUPAC name of (2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 170977783) is (2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone is O=C(c1c(-c2ccccc2)nc2ccccn12)N1CCC[C@H]1Cn1cnc(-c2ccccc2)c1.
What is the InChIKey of (2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is OCYFJAYBTRGVGH-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H25N5O/c34-28(27-26(22-12-5-2-6-13-22)30-25-15-7-8-16-33(25)27)32-17-9-14-23(32)18-31-19-24(29-20-31)21-10-3-1-4-11-21/h1-8,10-13,15-16,19-20,23H,9,14,17-18H2/t23-/m0/s1.
What are the key properties of (2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 447.54 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 170977783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).