8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide

C23H24F3N9O3 — CID 118253764

About 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide

8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 118253764) has the molecular formula C23H24F3N9O3 and a molecular weight of 531.50 g/mol. Its IUPAC name is 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
• PubChem CID: 118253764
• Molecular Formula: C23H24F3N9O3
• Molecular Weight: 531.50 g/mol
• Exact Mass: 531.20
• IUPAC Name: 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
• SMILES: C[C@@H]1CN(C(=O)C2(C#N)CC2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C[C@@H](O)C(F)(F)F)c3)nc12
• InChI: InChI=1S/C23H24F3N9O3/c1-12-6-33(21(38)22(11-27)2-3-22)8-15(12)31-18-14(19(28)37)5-30-35-9-16(32-20(18)35)13-4-29-34(7-13)10-17(36)23(24,25)26/h4-5,7,9,12,15,17,31,36H,2-3,6,8,10H2,1H3,(H2,28,37)/t12-,15-,17-/m1/s1
• InChIKey: NDSIWDQXROMSPY-SRCQZFHVSA-N
• XLogP: 1.18
• TPSA: 167.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.50
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide?

The IUPAC name of 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide (CID 118253764) is 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide.

What is the SMILES notation for 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide?

The canonical SMILES for 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide is C[C@@H]1CN(C(=O)C2(C#N)CC2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C[C@@H](O)C(F)(F)F)c3)nc12.

What is the InChIKey of 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide?

The InChIKey is NDSIWDQXROMSPY-SRCQZFHVSA-N. The full InChI is InChI=1S/C23H24F3N9O3/c1-12-6-33(21(38)22(11-27)2-3-22)8-15(12)31-18-14(19(28)37)5-30-35-9-16(32-20(18)35)13-4-29-34(7-13)10-17(36)23(24,25)26/h4-5,7,9,12,15,17,31,36H,2-3,6,8,10H2,1H3,(H2,28,37)/t12-,15-,17-/m1/s1.

What are the key properties of 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide?

8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 531.50 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 118253764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).