4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine

C18H21N3O2 — CID 110237967

IUPAC4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC(C)O1
InChIInChI=1S/C18H21N3O2/c1-12-9-21(10-13(2)23-12)11-15-14-5-3-7-19-18(14)20-17(15)16-6-4-8-22-16/h3-8,12-13H,9-11H2,1-2H3,(H,19,20)
InChIKeyOGNCMPWFHKCOSE-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.43
Rot. Bonds3

About 4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine

4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 110237967) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine
PubChem CID110237967
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC(C)O1
InChIInChI=1S/C18H21N3O2/c1-12-9-21(10-13(2)23-12)11-15-14-5-3-7-19-18(14)20-17(15)16-6-4-8-22-16/h3-8,12-13H,9-11H2,1-2H3,(H,19,20)
InChIKeyOGNCMPWFHKCOSE-UHFFFAOYSA-N
XLogP3.43
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine
CID 110223547
2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine
CID 110234738
3-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853010
3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 92591769
3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 95854321
3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 51593062
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707
N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine
CID 124528166
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine
CID 170588997
3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170382189

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine (CID 110237967) is 4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine is CC1CN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC(C)O1.
What is the InChIKey of 4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is OGNCMPWFHKCOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-9-21(10-13(2)23-12)11-15-14-5-3-7-19-18(14)20-17(15)16-6-4-8-22-16/h3-8,12-13H,9-11H2,1-2H3,(H,19,20).
What are the key properties of 4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine?
4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 311.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 110237967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).