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

C17H20F2N4OS — CID 133140119

IUPAC(3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
SMILESCc1ccc(CN2Cc3ncn(C)c3C(C(=O)N3CC(F)(F)C3)C2)s1
InChIInChI=1S/C17H20F2N4OS/c1-11-3-4-12(25-11)5-22-6-13(15-14(7-22)20-10-21(15)2)16(24)23-8-17(18,19)9-23/h3-4,10,13H,5-9H2,1-2H3
InChIKeyKTGHMHOGHPGVSA-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.37
Rot. Bonds3

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

(3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (PubChem CID 133140119) has the molecular formula C17H20F2N4OS and a molecular weight of 366.44 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
PubChem CID133140119
Molecular FormulaC17H20F2N4OS
Molecular Weight366.44 g/mol
Exact Mass366.13
IUPAC Name(3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
SMILESCc1ccc(CN2Cc3ncn(C)c3C(C(=O)N3CC(F)(F)C3)C2)s1
InChIInChI=1S/C17H20F2N4OS/c1-11-3-4-12(25-11)5-22-6-13(15-14(7-22)20-10-21(15)2)16(24)23-8-17(18,19)9-23/h3-4,10,13H,5-9H2,1-2H3
InChIKeyKTGHMHOGHPGVSA-UHFFFAOYSA-N
XLogP2.37
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (CID 133140119) is (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-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-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is Cc1ccc(CN2Cc3ncn(C)c3C(C(=O)N3CC(F)(F)C3)C2)s1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The InChIKey is KTGHMHOGHPGVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4OS/c1-11-3-4-12(25-11)5-22-6-13(15-14(7-22)20-10-21(15)2)16(24)23-8-17(18,19)9-23/h3-4,10,13H,5-9H2,1-2H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 2.37, 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-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is sourced from PubChem (CID 133140119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).