[2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone

C18H17FN4O2 — CID 84598007

IUPAC[2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCOC(c4cccc(F)c4)C3)cnc21
InChIInChI=1S/C18H17FN4O2/c1-22-11-21-15-8-13(9-20-17(15)22)18(24)23-5-6-25-16(10-23)12-3-2-4-14(19)7-12/h2-4,7-9,11,16H,5-6,10H2,1H3
InChIKeyHATYRXNYMKOARK-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.32
Rot. Bonds2

About [2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone

[2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (PubChem CID 84598007) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is [2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
PubChem CID84598007
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name[2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCOC(c4cccc(F)c4)C3)cnc21
InChIInChI=1S/C18H17FN4O2/c1-22-11-21-15-8-13(9-20-17(15)22)18(24)23-5-6-25-16(10-23)12-3-2-4-14(19)7-12/h2-4,7-9,11,16H,5-6,10H2,1H3
InChIKeyHATYRXNYMKOARK-UHFFFAOYSA-N
XLogP2.32
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (CID 84598007) is [2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is Cn1cnc2cc(C(=O)N3CCOC(c4cccc(F)c4)C3)cnc21.
What is the InChIKey of [2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is HATYRXNYMKOARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-22-11-21-15-8-13(9-20-17(15)22)18(24)23-5-6-25-16(10-23)12-3-2-4-14(19)7-12/h2-4,7-9,11,16H,5-6,10H2,1H3.
What are the key properties of [2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
[2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 340.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 84598007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).