1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone

C19H23N5O — CID 95341898

IUPAC1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
SMILESCCc1nccn1[C@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1
InChIInChI=1S/C19H23N5O/c1-2-17-20-8-11-24(17)16-6-5-10-23(14-16)19(25)12-15-13-22-9-4-3-7-18(22)21-15/h3-4,7-9,11,13,16H,2,5-6,10,12,14H2,1H3/t16-/m0/s1
InChIKeyFRBGWSZJUSUDAP-INIZCTEOSA-N
MW337.43 g/mol
LogP2.50
Rot. Bonds4

About 1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone

1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone (PubChem CID 95341898) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
PubChem CID95341898
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
SMILESCCc1nccn1[C@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1
InChIInChI=1S/C19H23N5O/c1-2-17-20-8-11-24(17)16-6-5-10-23(14-16)19(25)12-15-13-22-9-4-3-7-18(22)21-15/h3-4,7-9,11,13,16H,2,5-6,10,12,14H2,1H3/t16-/m0/s1
InChIKeyFRBGWSZJUSUDAP-INIZCTEOSA-N
XLogP2.50
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[1,2-a]pyridin-2-yl-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313099
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
N-[2-[2-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide
CID 86935391
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 103900447
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95342530
2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95341017
2-(2-cyclopropylbenzimidazol-1-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 86905670
1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 63106394
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779716
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The IUPAC name of 1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone (CID 95341898) is 1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone.
What is the SMILES notation for 1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The canonical SMILES for 1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone is CCc1nccn1[C@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1.
What is the InChIKey of 1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The InChIKey is FRBGWSZJUSUDAP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-17-20-8-11-24(17)16-6-5-10-23(14-16)19(25)12-15-13-22-9-4-3-7-18(22)21-15/h3-4,7-9,11,13,16H,2,5-6,10,12,14H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone has a molecular weight of 337.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone is sourced from PubChem (CID 95341898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).