(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C22H21N5O — CID 96578369

IUPAC(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C22H21N5O/c28-22(27-13-4-8-19(27)15-26-12-5-11-23-26)18-9-10-21-24-20(16-25(21)14-18)17-6-2-1-3-7-17/h1-3,5-7,9-12,14,16,19H,4,8,13,15H2/t19-/m0/s1
InChIKeyYFEWJYFRAGJYRY-IBGZPJMESA-N
MW371.44 g/mol
LogP3.50
Rot. Bonds4

About (2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 96578369) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is (2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID96578369
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C22H21N5O/c28-22(27-13-4-8-19(27)15-26-12-5-11-23-26)18-9-10-21-24-20(16-25(21)14-18)17-6-2-1-3-7-17/h1-3,5-7,9-12,14,16,19H,4,8,13,15H2/t19-/m0/s1
InChIKeyYFEWJYFRAGJYRY-IBGZPJMESA-N
XLogP3.50
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[4-(pyrrol-1-ylmethyl)phenyl]methanone
CID 95323660
imidazo[1,2-a]pyridin-2-yl-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602635
[4-(pyrazol-1-ylmethyl)phenyl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347004
(2-phenylazetidin-1-yl)-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 72915799
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603955
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 72841086
[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 96574025
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 72914202
(4-imidazol-1-ylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324252

Frequently Asked Questions

What is the IUPAC name of (2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 96578369) is (2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of (2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YFEWJYFRAGJYRY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(27-13-4-8-19(27)15-26-12-5-11-23-26)18-9-10-21-24-20(16-25(21)14-18)17-6-2-1-3-7-17/h1-3,5-7,9-12,14,16,19H,4,8,13,15H2/t19-/m0/s1.
What are the key properties of (2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 3.50, 4 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-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 96578369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).