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

C16H22F2N4O2 — CID 131649061

IUPAC(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
SMILESCn1cnc2c1C(C(=O)N1CC(F)(F)C1)CN(C1CCOCC1)C2
InChIInChI=1S/C16H22F2N4O2/c1-20-10-19-13-7-21(11-2-4-24-5-3-11)6-12(14(13)20)15(23)22-8-16(17,18)9-22/h10-12H,2-9H2,1H3
InChIKeyPOPDAXSMJMFYHP-UHFFFAOYSA-N
MW340.37 g/mol
LogP0.98
Rot. Bonds2

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

(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (PubChem CID 131649061) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
PubChem CID131649061
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
SMILESCn1cnc2c1C(C(=O)N1CC(F)(F)C1)CN(C1CCOCC1)C2
InChIInChI=1S/C16H22F2N4O2/c1-20-10-19-13-7-21(11-2-4-24-5-3-11)6-12(14(13)20)15(23)22-8-16(17,18)9-22/h10-12H,2-9H2,1H3
InChIKeyPOPDAXSMJMFYHP-UHFFFAOYSA-N
XLogP0.98
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 50.98
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-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (CID 131649061) is (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-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-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is Cn1cnc2c1C(C(=O)N1CC(F)(F)C1)CN(C1CCOCC1)C2.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The InChIKey is POPDAXSMJMFYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-20-10-19-13-7-21(11-2-4-24-5-3-11)6-12(14(13)20)15(23)22-8-16(17,18)9-22/h10-12H,2-9H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone has a molecular weight of 340.37 g/mol, XLogP of 0.98, 2 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-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is sourced from PubChem (CID 131649061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).