N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

C24H22F4N6O — CID 126709119

About N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709119) has the molecular formula C24H22F4N6O and a molecular weight of 486.47 g/mol. Its IUPAC name is N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 126709119
• Molecular Formula: C24H22F4N6O
• Molecular Weight: 486.47 g/mol
• Exact Mass: 486.18
• IUPAC Name: N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: O=C(Nc1cccc(CN2CC[C@@H](F)C2)n1)c1cnc2n1NC(c1ccccc1C(F)(F)F)C=C2
• InChI: InChI=1S/C24H22F4N6O/c25-15-10-11-33(13-15)14-16-4-3-7-21(30-16)31-23(35)20-12-29-22-9-8-19(32-34(20)22)17-5-1-2-6-18(17)24(26,27)28/h1-9,12,15,19,32H,10-11,13-14H2,(H,30,31,35)/t15-,19?/m1/s1
• InChIKey: NFNLCDXLEIAGAE-NYRJJRHWSA-N
• XLogP: 4.40
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.47
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 126709119) is N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1cccc(CN2CC[C@@H](F)C2)n1)c1cnc2n1NC(c1ccccc1C(F)(F)F)C=C2.

What is the InChIKey of N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is NFNLCDXLEIAGAE-NYRJJRHWSA-N. The full InChI is InChI=1S/C24H22F4N6O/c25-15-10-11-33(13-15)14-16-4-3-7-21(30-16)31-23(35)20-12-29-22-9-8-19(32-34(20)22)17-5-1-2-6-18(17)24(26,27)28/h1-9,12,15,19,32H,10-11,13-14H2,(H,30,31,35)/t15-,19?/m1/s1.

What are the key properties of N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?

N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 486.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).