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

C25H29F3N6O — CID 126709248

IUPACN-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCCN(CCC)C1=CNCC(NC(=O)c2cnc3n2NC(c2ccccc2C(F)(F)F)C=C3)=C1
InChIInChI=1S/C25H29F3N6O/c1-3-11-33(12-4-2)18-13-17(14-29-15-18)31-24(35)22-16-30-23-10-9-21(32-34(22)23)19-7-5-6-8-20(19)25(26,27)28/h5-10,13,15-16,21,29,32H,3-4,11-12,14H2,1-2H3,(H,31,35)
InChIKeyOCIWJHSUHVHOOD-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.39
Rot. Bonds8

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

N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709248) has the molecular formula C25H29F3N6O and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126709248
Molecular FormulaC25H29F3N6O
Molecular Weight486.54 g/mol
Exact Mass486.24
IUPAC NameN-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCCN(CCC)C1=CNCC(NC(=O)c2cnc3n2NC(c2ccccc2C(F)(F)F)C=C3)=C1
InChIInChI=1S/C25H29F3N6O/c1-3-11-33(12-4-2)18-13-17(14-29-15-18)31-24(35)22-16-30-23-10-9-21(32-34(22)23)19-7-5-6-8-20(19)25(26,27)28/h5-10,13,15-16,21,29,32H,3-4,11-12,14H2,1-2H3,(H,31,35)
InChIKeyOCIWJHSUHVHOOD-UHFFFAOYSA-N
XLogP4.39
TPSA74.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 126709248) is N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is CCCN(CCC)C1=CNCC(NC(=O)c2cnc3n2NC(c2ccccc2C(F)(F)F)C=C3)=C1.
What is the InChIKey of N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is OCIWJHSUHVHOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O/c1-3-11-33(12-4-2)18-13-17(14-29-15-18)31-24(35)22-16-30-23-10-9-21(32-34(22)23)19-7-5-6-8-20(19)25(26,27)28/h5-10,13,15-16,21,29,32H,3-4,11-12,14H2,1-2H3,(H,31,35).
What are the key properties of N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dipropylamino)-1,2-dihydropyridin-3-yl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).