[3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone

C19H17F3N4O2 — CID 164780332

IUPAC[3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)ncn2-c1cccc(OC(F)F)c1)N1CCC(F)CC1
InChIInChI=1S/C19H17F3N4O2/c20-13-4-6-25(7-5-13)18(27)12-8-16-17(23-10-12)26(11-24-16)14-2-1-3-15(9-14)28-19(21)22/h1-3,8-11,13,19H,4-7H2
InChIKeyZQTUPTMIAOEMTA-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.60
Rot. Bonds4

About [3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone

[3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone (PubChem CID 164780332) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is [3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
PubChem CID164780332
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name[3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)ncn2-c1cccc(OC(F)F)c1)N1CCC(F)CC1
InChIInChI=1S/C19H17F3N4O2/c20-13-4-6-25(7-5-13)18(27)12-8-16-17(23-10-12)26(11-24-16)14-2-1-3-15(9-14)28-19(21)22/h1-3,8-11,13,19H,4-7H2
InChIKeyZQTUPTMIAOEMTA-UHFFFAOYSA-N
XLogP3.60
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176502306
[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 175644434
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176505977
(3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
CID 156811309
(3-phenylimidazo[4,5-b]pyridin-6-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 176504802
[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
CID 156810884
[4-(1-bromoethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 106839146
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 175642980
4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzaldehyde
CID 163261052
(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone
CID 170530613
4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 156811062
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547

Frequently Asked Questions

What is the IUPAC name of [3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of [3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone (CID 164780332) is [3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for [3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for [3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone is O=C(c1cnc2c(c1)ncn2-c1cccc(OC(F)F)c1)N1CCC(F)CC1.
What is the InChIKey of [3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is ZQTUPTMIAOEMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-13-4-6-25(7-5-13)18(27)12-8-16-17(23-10-12)26(11-24-16)14-2-1-3-15(9-14)28-19(21)22/h1-3,8-11,13,19H,4-7H2.
What are the key properties of [3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
[3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 390.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 164780332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).