8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

C21H20F3N5O — CID 126709271

IUPAC8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1=CC(NC(=O)c2cnc3n2NC(c2ccccc2C(F)(F)F)C=C3C)=CCN1
InChIInChI=1S/C21H20F3N5O/c1-12-9-17(15-5-3-4-6-16(15)21(22,23)24)28-29-18(11-26-19(12)29)20(30)27-14-7-8-25-13(2)10-14/h3-7,9-11,17,25,28H,8H2,1-2H3,(H,27,30)
InChIKeyZHCKYCXRFJCOJU-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.72
Rot. Bonds3

About 8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709271) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is 8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126709271
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC1=CC(NC(=O)c2cnc3n2NC(c2ccccc2C(F)(F)F)C=C3C)=CCN1
InChIInChI=1S/C21H20F3N5O/c1-12-9-17(15-5-3-4-6-16(15)21(22,23)24)28-29-18(11-26-19(12)29)20(30)27-14-7-8-25-13(2)10-14/h3-7,9-11,17,25,28H,8H2,1-2H3,(H,27,30)
InChIKeyZHCKYCXRFJCOJU-UHFFFAOYSA-N
XLogP3.72
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 126709271) is 8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is CC1=CC(NC(=O)c2cnc3n2NC(c2ccccc2C(F)(F)F)C=C3C)=CCN1.
What is the InChIKey of 8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZHCKYCXRFJCOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c1-12-9-17(15-5-3-4-6-16(15)21(22,23)24)28-29-18(11-26-19(12)29)20(30)27-14-7-8-25-13(2)10-14/h3-7,9-11,17,25,28H,8H2,1-2H3,(H,27,30).
What are the key properties of 8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(6-methyl-1,2-dihydropyridin-4-yl)-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).