7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one

C23H19F3N6O2 — CID 168998881

IUPAC7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one
SMILESCOc1ccc(-c2cnc3c(c2)CN(c2nn4c(=O)cc(C(F)(F)F)nc4cc2C)CC3)cn1
InChIInChI=1S/C23H19F3N6O2/c1-13-7-19-29-18(23(24,25)26)9-21(33)32(19)30-22(13)31-6-5-17-16(12-31)8-15(11-27-17)14-3-4-20(34-2)28-10-14/h3-4,7-11H,5-6,12H2,1-2H3
InChIKeyZEMYZXZPMVOTAW-UHFFFAOYSA-N
MW468.44 g/mol
LogP3.45
Rot. Bonds3

About 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one

7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one (PubChem CID 168998881) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one
PubChem CID168998881
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one
SMILESCOc1ccc(-c2cnc3c(c2)CN(c2nn4c(=O)cc(C(F)(F)F)nc4cc2C)CC3)cn1
InChIInChI=1S/C23H19F3N6O2/c1-13-7-19-29-18(23(24,25)26)9-21(33)32(19)30-22(13)31-6-5-17-16(12-31)8-15(11-27-17)14-3-4-20(34-2)28-10-14/h3-4,7-11H,5-6,12H2,1-2H3
InChIKeyZEMYZXZPMVOTAW-UHFFFAOYSA-N
XLogP3.45
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one (CID 168998881) is 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one is COc1ccc(-c2cnc3c(c2)CN(c2nn4c(=O)cc(C(F)(F)F)nc4cc2C)CC3)cn1.
What is the InChIKey of 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one?
The InChIKey is ZEMYZXZPMVOTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-13-7-19-29-18(23(24,25)26)9-21(33)32(19)30-22(13)31-6-5-17-16(12-31)8-15(11-27-17)14-3-4-20(34-2)28-10-14/h3-4,7-11H,5-6,12H2,1-2H3.
What are the key properties of 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one?
7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one has a molecular weight of 468.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(6-methoxy-3-pyridinyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 168998881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).