2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone

C20H20F2N4O2 — CID 83275805

IUPAC2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCn1c(CC2CCN(C(=O)COc3ccc(F)c(F)c3)C2)nc2cccnc21
InChIInChI=1S/C20H20F2N4O2/c1-25-18(24-17-3-2-7-23-20(17)25)9-13-6-8-26(11-13)19(27)12-28-14-4-5-15(21)16(22)10-14/h2-5,7,10,13H,6,8-9,11-12H2,1H3
InChIKeyIWWNMDWTSAJMNA-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.72
Rot. Bonds5

About 2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone

2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 83275805) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID83275805
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCn1c(CC2CCN(C(=O)COc3ccc(F)c(F)c3)C2)nc2cccnc21
InChIInChI=1S/C20H20F2N4O2/c1-25-18(24-17-3-2-7-23-20(17)25)9-13-6-8-26(11-13)19(27)12-28-14-4-5-15(21)16(22)10-14/h2-5,7,10,13H,6,8-9,11-12H2,1H3
InChIKeyIWWNMDWTSAJMNA-UHFFFAOYSA-N
XLogP2.72
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone (CID 83275805) is 2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone is Cn1c(CC2CCN(C(=O)COc3ccc(F)c(F)c3)C2)nc2cccnc21.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is IWWNMDWTSAJMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-25-18(24-17-3-2-7-23-20(17)25)9-13-6-8-26(11-13)19(27)12-28-14-4-5-15(21)16(22)10-14/h2-5,7,10,13H,6,8-9,11-12H2,1H3.
What are the key properties of 2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone?
2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 386.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 83275805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).