1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one

C29H29ClFN3O2 — CID 158676224

IUPAC1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(O)(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H29ClFN3O2/c1-2-25-28(34-19-22(30)8-14-27(34)32-25)26(35)13-5-20-3-11-24(12-4-20)33-17-15-29(36,16-18-33)21-6-9-23(31)10-7-21/h3-4,6-12,14,19,36H,2,5,13,15-18H2,1H3
InChIKeyIEOAYEFBOFVKAJ-UHFFFAOYSA-N
MW506.02 g/mol
LogP5.99
Rot. Bonds7

About 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one (PubChem CID 158676224) has the molecular formula C29H29ClFN3O2 and a molecular weight of 506.02 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one
PubChem CID158676224
Molecular FormulaC29H29ClFN3O2
Molecular Weight506.02 g/mol
Exact Mass505.19
IUPAC Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(O)(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H29ClFN3O2/c1-2-25-28(34-19-22(30)8-14-27(34)32-25)26(35)13-5-20-3-11-24(12-4-20)33-17-15-29(36,16-18-33)21-6-9-23(31)10-7-21/h3-4,6-12,14,19,36H,2,5,13,15-18H2,1H3
InChIKeyIEOAYEFBOFVKAJ-UHFFFAOYSA-N
XLogP5.99
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.02
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one (CID 158676224) is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCC(O)(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one?
The InChIKey is IEOAYEFBOFVKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClFN3O2/c1-2-25-28(34-19-22(30)8-14-27(34)32-25)26(35)13-5-20-3-11-24(12-4-20)33-17-15-29(36,16-18-33)21-6-9-23(31)10-7-21/h3-4,6-12,14,19,36H,2,5,13,15-18H2,1H3.
What are the key properties of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one?
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one has a molecular weight of 506.02 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 158676224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).