8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide

C22H24FN9O2 — CID 123519676

IUPAC8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
SMILESCCn1cc(-c2cn3ncc(C(N)=O)c(NC4CN(C(=O)C5(C#N)CC5)CC4CF)c3n2)cn1
InChIInChI=1S/C22H24FN9O2/c1-2-31-9-14(6-26-31)17-11-32-20(29-17)18(15(7-27-32)19(25)33)28-16-10-30(8-13(16)5-23)21(34)22(12-24)3-4-22/h6-7,9,11,13,16,28H,2-5,8,10H2,1H3,(H2,25,33)
InChIKeyVYRYMNLMUGPYBN-UHFFFAOYSA-N
MW465.49 g/mol
LogP1.22
Rot. Bonds7

About 8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide

8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 123519676) has the molecular formula C22H24FN9O2 and a molecular weight of 465.49 g/mol. Its IUPAC name is 8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID123519676
Molecular FormulaC22H24FN9O2
Molecular Weight465.49 g/mol
Exact Mass465.20
IUPAC Name8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
SMILESCCn1cc(-c2cn3ncc(C(N)=O)c(NC4CN(C(=O)C5(C#N)CC5)CC4CF)c3n2)cn1
InChIInChI=1S/C22H24FN9O2/c1-2-31-9-14(6-26-31)17-11-32-20(29-17)18(15(7-27-32)19(25)33)28-16-10-30(8-13(16)5-23)21(34)22(12-24)3-4-22/h6-7,9,11,13,16,28H,2-5,8,10H2,1H3,(H2,25,33)
InChIKeyVYRYMNLMUGPYBN-UHFFFAOYSA-N
XLogP1.22
TPSA147.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

8-[[(3S,4R)-1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253698
8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-ethylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253713
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
8-[[(3S,4R)-1-(3-cyanooxetane-3-carbonyl)-4-methylpyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253655
2-bromo-8-[[(3S,4S)-1-(1-cyanocyclopropanecarbonyl)-4-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-3-yl]amino]imidazo[1,2-b]pyridazine-7-carboxamide;2-bromo-8-[[(3S,4S)-4-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-3-yl]amino]imidazo[1,2-b]pyridazine-7-carboxamide
CID 160921544
8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-[1-[(2R)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253718
8-[[(3S,4R)-1-(5-cyanopyrimidin-2-yl)-4-methylpyrrolidin-3-yl]amino]-2-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253708
2-bromo-8-[(4-ethylpyrrolidin-3-yl)amino]imidazo[1,2-b]pyridazine-7-carboxamide
CID 123229435
8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253679
6-[1-(2-cyanoethyl)pyrazol-4-yl]-4-[(3-ethyl-1-methylsulfonylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77463725
4-[[(3R,4R)-3-ethyl-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]amino]-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937367
4-[[(3S,4S)-1-(2-cyanoacetyl)-4-methylpyrrolidin-3-yl]amino]-6-(2-fluoro-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937374

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide (CID 123519676) is 8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for 8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide is CCn1cc(-c2cn3ncc(C(N)=O)c(NC4CN(C(=O)C5(C#N)CC5)CC4CF)c3n2)cn1.
What is the InChIKey of 8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is VYRYMNLMUGPYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN9O2/c1-2-31-9-14(6-26-31)17-11-32-20(29-17)18(15(7-27-32)19(25)33)28-16-10-30(8-13(16)5-23)21(34)22(12-24)3-4-22/h6-7,9,11,13,16,28H,2-5,8,10H2,1H3,(H2,25,33).
What are the key properties of 8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?
8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 123519676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).