[3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone

C18H17FN4O2 — CID 75503928

IUPAC[3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCC(Oc4ccc(F)cc4)C3)cnc21
InChIInChI=1S/C18H17FN4O2/c1-22-11-21-16-8-12(9-20-17(16)22)18(24)23-7-6-15(10-23)25-14-4-2-13(19)3-5-14/h2-5,8-9,11,15H,6-7,10H2,1H3
InChIKeyZGEXFDWQFFLMBZ-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.40
Rot. Bonds3

About [3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone

[3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (PubChem CID 75503928) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is [3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
PubChem CID75503928
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name[3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCC(Oc4ccc(F)cc4)C3)cnc21
InChIInChI=1S/C18H17FN4O2/c1-22-11-21-16-8-12(9-20-17(16)22)18(24)23-7-6-15(10-23)25-14-4-2-13(19)3-5-14/h2-5,8-9,11,15H,6-7,10H2,1H3
InChIKeyZGEXFDWQFFLMBZ-UHFFFAOYSA-N
XLogP2.40
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 46971656
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853
(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470
[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95140625
2-chloro-1-[(3S)-3-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone
CID 166407433
(4-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916416
[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133345932
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086
(3R)-3-(4-fluorophenoxy)-N-[(1-methylindol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 146296940

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of [3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (CID 75503928) is [3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for [3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is Cn1cnc2cc(C(=O)N3CCC(Oc4ccc(F)cc4)C3)cnc21.
What is the InChIKey of [3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is ZGEXFDWQFFLMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-22-11-21-16-8-12(9-20-17(16)22)18(24)23-7-6-15(10-23)25-14-4-2-13(19)3-5-14/h2-5,8-9,11,15H,6-7,10H2,1H3.
What are the key properties of [3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
[3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 340.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 75503928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).