8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one

C27H26F3N7O2 — CID 168998769

IUPAC8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCC1=Cc2nc(C(=O)N3CCC(c4cccnc4)C3)cc(=O)n2NC1N1CCc2ncc(C(F)(F)F)cc2C1
InChIInChI=1S/C27H26F3N7O2/c1-16-9-23-33-22(26(39)36-7-4-18(14-36)17-3-2-6-31-12-17)11-24(38)37(23)34-25(16)35-8-5-21-19(15-35)10-20(13-32-21)27(28,29)30/h2-3,6,9-13,18,25,34H,4-5,7-8,14-15H2,1H3
InChIKeyXCUMAEVIYCCHCZ-UHFFFAOYSA-N
MW537.55 g/mol
LogP3.03
Rot. Bonds3

About 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one

8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (PubChem CID 168998769) has the molecular formula C27H26F3N7O2 and a molecular weight of 537.55 g/mol. Its IUPAC name is 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
PubChem CID168998769
Molecular FormulaC27H26F3N7O2
Molecular Weight537.55 g/mol
Exact Mass537.21
IUPAC Name8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCC1=Cc2nc(C(=O)N3CCC(c4cccnc4)C3)cc(=O)n2NC1N1CCc2ncc(C(F)(F)F)cc2C1
InChIInChI=1S/C27H26F3N7O2/c1-16-9-23-33-22(26(39)36-7-4-18(14-36)17-3-2-6-31-12-17)11-24(38)37(23)34-25(16)35-8-5-21-19(15-35)10-20(13-32-21)27(28,29)30/h2-3,6,9-13,18,25,34H,4-5,7-8,14-15H2,1H3
InChIKeyXCUMAEVIYCCHCZ-UHFFFAOYSA-N
XLogP3.03
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (CID 168998769) is 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is CC1=Cc2nc(C(=O)N3CCC(c4cccnc4)C3)cc(=O)n2NC1N1CCc2ncc(C(F)(F)F)cc2C1.
What is the InChIKey of 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The InChIKey is XCUMAEVIYCCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N7O2/c1-16-9-23-33-22(26(39)36-7-4-18(14-36)17-3-2-6-31-12-17)11-24(38)37(23)34-25(16)35-8-5-21-19(15-35)10-20(13-32-21)27(28,29)30/h2-3,6,9-13,18,25,34H,4-5,7-8,14-15H2,1H3.
What are the key properties of 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one has a molecular weight of 537.55 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(3-pyridin-3-ylpyrrolidine-1-carbonyl)-7-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 168998769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).