[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone

C19H18ClFN4O — CID 70772618

IUPAC[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESCn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCC(F)CC3)cnc21
InChIInChI=1S/C19H18ClFN4O/c1-24-17(14-4-2-3-5-15(14)20)23-16-10-12(11-22-18(16)24)19(26)25-8-6-13(21)7-9-25/h2-5,10-11,13H,6-9H2,1H3
InChIKeyVRWGOEAJISSPOG-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.86
Rot. Bonds2

About [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone

[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone (PubChem CID 70772618) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
PubChem CID70772618
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESCn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCC(F)CC3)cnc21
InChIInChI=1S/C19H18ClFN4O/c1-24-17(14-4-2-3-5-15(14)20)23-16-10-12(11-22-18(16)24)19(26)25-8-6-13(21)7-9-25/h2-5,10-11,13H,6-9H2,1H3
InChIKeyVRWGOEAJISSPOG-UHFFFAOYSA-N
XLogP3.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone (CID 70772618) is [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone is Cn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCC(F)CC3)cnc21.
What is the InChIKey of [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is VRWGOEAJISSPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-24-17(14-4-2-3-5-15(14)20)23-16-10-12(11-22-18(16)24)19(26)25-8-6-13(21)7-9-25/h2-5,10-11,13H,6-9H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone?
[2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 372.83 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 70772618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).