(3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone

C16H18F2N4O2 — CID 131677841

IUPAC(3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
SMILESCn1cnc2c1C(C(=O)N1CC(F)(F)C1)CN(Cc1ccoc1)C2
InChIInChI=1S/C16H18F2N4O2/c1-20-10-19-13-6-21(4-11-2-3-24-7-11)5-12(14(13)20)15(23)22-8-16(17,18)9-22/h2-3,7,10,12H,4-6,8-9H2,1H3
InChIKeyOYIAJCSLDYJGMY-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.59
Rot. Bonds3

About (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone

(3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (PubChem CID 131677841) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
PubChem CID131677841
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name(3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
SMILESCn1cnc2c1C(C(=O)N1CC(F)(F)C1)CN(Cc1ccoc1)C2
InChIInChI=1S/C16H18F2N4O2/c1-20-10-19-13-6-21(4-11-2-3-24-7-11)5-12(14(13)20)15(23)22-8-16(17,18)9-22/h2-3,7,10,12H,4-6,8-9H2,1H3
InChIKeyOYIAJCSLDYJGMY-UHFFFAOYSA-N
XLogP1.59
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone with MolForge

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Related Compounds

3-furyl(3-methyl-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 71836377
5-(furan-3-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739313
1-(cyclopropylmethyl)-7-(ethoxymethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118739773
[4-(ethoxymethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 118740887
furan-3-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 118741167
2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
CID 118746025
N-[[5-(furan-3-carbonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
CID 53191027
2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746024
(3,3-difluoroazetidin-1-yl)-[(8R)-7-(furan-3-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
CID 124243309
(3,3-difluoroazetidin-1-yl)-[(8S)-7-(furan-3-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
CID 124243310
(3,3-difluoroazetidin-1-yl)-[(5R)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
CID 124244831
(3,3-difluoroazetidin-1-yl)-[(5S)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
CID 124244832

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (CID 131677841) is (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is Cn1cnc2c1C(C(=O)N1CC(F)(F)C1)CN(Cc1ccoc1)C2.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The InChIKey is OYIAJCSLDYJGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-20-10-19-13-6-21(4-11-2-3-24-7-11)5-12(14(13)20)15(23)22-8-16(17,18)9-22/h2-3,7,10,12H,4-6,8-9H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone has a molecular weight of 336.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is sourced from PubChem (CID 131677841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).