(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone

C16H18F2N4OS — CID 131677331

IUPAC(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
SMILESCn1cnc2c1C(C(=O)N1CC(F)(F)C1)CN(Cc1cccs1)C2
InChIInChI=1S/C16H18F2N4OS/c1-20-10-19-13-7-21(5-11-3-2-4-24-11)6-12(14(13)20)15(23)22-8-16(17,18)9-22/h2-4,10,12H,5-9H2,1H3
InChIKeyKRMSMFOWXPWIFW-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.06
Rot. Bonds3

About (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone

(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (PubChem CID 131677331) has the molecular formula C16H18F2N4OS and a molecular weight of 352.41 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
PubChem CID131677331
Molecular FormulaC16H18F2N4OS
Molecular Weight352.41 g/mol
Exact Mass352.12
IUPAC Name(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
SMILESCn1cnc2c1C(C(=O)N1CC(F)(F)C1)CN(Cc1cccs1)C2
InChIInChI=1S/C16H18F2N4OS/c1-20-10-19-13-7-21(5-11-3-2-4-24-11)6-12(14(13)20)15(23)22-8-16(17,18)9-22/h2-4,10,12H,5-9H2,1H3
InChIKeyKRMSMFOWXPWIFW-UHFFFAOYSA-N
XLogP2.06
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (CID 131677331) is (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is Cn1cnc2c1C(C(=O)N1CC(F)(F)C1)CN(Cc1cccs1)C2.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The InChIKey is KRMSMFOWXPWIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4OS/c1-20-10-19-13-7-21(5-11-3-2-4-24-11)6-12(14(13)20)15(23)22-8-16(17,18)9-22/h2-4,10,12H,5-9H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 2.06, 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)-[1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is sourced from PubChem (CID 131677331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).