(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C17H18N4O3 — CID 131895282

IUPAC(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC1=C(C(=O)N2CCc3[nH]cnc3C2c2cccnc2)OCCO1
InChIInChI=1S/C17H18N4O3/c1-11-16(24-8-7-23-11)17(22)21-6-4-13-14(20-10-19-13)15(21)12-3-2-5-18-9-12/h2-3,5,9-10,15H,4,6-8H2,1H3,(H,19,20)
InChIKeyIWVWSHLSKCJIRU-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.56
Rot. Bonds2

About (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 131895282) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID131895282
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC1=C(C(=O)N2CCc3[nH]cnc3C2c2cccnc2)OCCO1
InChIInChI=1S/C17H18N4O3/c1-11-16(24-8-7-23-11)17(22)21-6-4-13-14(20-10-19-13)15(21)12-3-2-5-18-9-12/h2-3,5,9-10,15H,4,6-8H2,1H3,(H,19,20)
InChIKeyIWVWSHLSKCJIRU-UHFFFAOYSA-N
XLogP1.56
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 131895282) is (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is CC1=C(C(=O)N2CCc3[nH]cnc3C2c2cccnc2)OCCO1.
What is the InChIKey of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is IWVWSHLSKCJIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-16(24-8-7-23-11)17(22)21-6-4-13-14(20-10-19-13)15(21)12-3-2-5-18-9-12/h2-3,5,9-10,15H,4,6-8H2,1H3,(H,19,20).
What are the key properties of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 326.36 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 131895282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).