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

C27H24N6O — CID 170977406

IUPAC(3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1nc2ccccn2c1-c1ccccc1)N1CCC[C@H]1Cn1ccc(-c2ccccn2)n1
InChIInChI=1S/C27H24N6O/c34-27(25-26(20-9-2-1-3-10-20)33-16-7-5-13-24(33)29-25)32-17-8-11-21(32)19-31-18-14-23(30-31)22-12-4-6-15-28-22/h1-7,9-10,12-16,18,21H,8,11,17,19H2/t21-/m0/s1
InChIKeyVQGJMBKFCXBYDD-NRFANRHFSA-N
MW448.53 g/mol
LogP4.56
Rot. Bonds5

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

(3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 170977406) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is (3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID170977406
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name(3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1nc2ccccn2c1-c1ccccc1)N1CCC[C@H]1Cn1ccc(-c2ccccn2)n1
InChIInChI=1S/C27H24N6O/c34-27(25-26(20-9-2-1-3-10-20)33-16-7-5-13-24(33)29-25)32-17-8-11-21(32)19-31-18-14-23(30-31)22-12-4-6-15-28-22/h1-7,9-10,12-16,18,21H,8,11,17,19H2/t21-/m0/s1
InChIKeyVQGJMBKFCXBYDD-NRFANRHFSA-N
XLogP4.56
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(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
(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 170977783
[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-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347227
(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 96578369
(2R)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178914
(5-methyl-2-phenyltriazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324237
3-phenyl-1-[(2R)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 92574610
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 79028762
imidazo[1,2-a]pyridin-2-yl-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602635
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-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 95603823

Frequently Asked Questions

What is the IUPAC name of (3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 170977406) is (3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is O=C(c1nc2ccccn2c1-c1ccccc1)N1CCC[C@H]1Cn1ccc(-c2ccccn2)n1.
What is the InChIKey of (3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is VQGJMBKFCXBYDD-NRFANRHFSA-N. The full InChI is InChI=1S/C27H24N6O/c34-27(25-26(20-9-2-1-3-10-20)33-16-7-5-13-24(33)29-25)32-17-8-11-21(32)19-31-18-14-23(30-31)22-12-4-6-15-28-22/h1-7,9-10,12-16,18,21H,8,11,17,19H2/t21-/m0/s1.
What are the key properties of (3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 448.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 170977406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).