8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide

C23H25N11O — CID 118253679

IUPAC8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
SMILESCn1cc(-c2cn3ncc(C(N)=O)c(NC4CCN(c5ccc(C#N)nn5)CC4(C)C)c3n2)cn1
InChIInChI=1S/C23H25N11O/c1-23(2)13-33(19-5-4-15(8-24)30-31-19)7-6-18(23)29-20-16(21(25)35)10-27-34-12-17(28-22(20)34)14-9-26-32(3)11-14/h4-5,9-12,18,29H,6-7,13H2,1-3H3,(H2,25,35)
InChIKeyBWPPEAVIJRXKIH-UHFFFAOYSA-N
MW471.53 g/mol
LogP1.61
Rot. Bonds5

About 8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide

8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide (PubChem CID 118253679) has the molecular formula C23H25N11O and a molecular weight of 471.53 g/mol. Its IUPAC name is 8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide.

Molecular Properties

Compound Name8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
PubChem CID118253679
Molecular FormulaC23H25N11O
Molecular Weight471.53 g/mol
Exact Mass471.22
IUPAC Name8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
SMILESCn1cc(-c2cn3ncc(C(N)=O)c(NC4CCN(c5ccc(C#N)nn5)CC4(C)C)c3n2)cn1
InChIInChI=1S/C23H25N11O/c1-23(2)13-33(19-5-4-15(8-24)30-31-19)7-6-18(23)29-20-16(21(25)35)10-27-34-12-17(28-22(20)34)14-9-26-32(3)11-14/h4-5,9-12,18,29H,6-7,13H2,1-3H3,(H2,25,35)
InChIKeyBWPPEAVIJRXKIH-UHFFFAOYSA-N
XLogP1.61
TPSA155.94 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide with MolForge

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Related Compounds

7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 142469261
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
8-[[1-(1-cyanocyclopropanecarbonyl)-4-(1,1,2,2,2-pentahydroxyethyl)pyrrolidin-3-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 144586293
6-[(4R)-4-[(6-acetyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3,3-dimethylpiperidin-1-yl]pyridazine-3-carbonitrile
CID 142469247
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
8-[[1-(1-cyanocyclopropanecarbonyl)-4-(fluoromethyl)pyrrolidin-3-yl]amino]-2-(1-ethylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide
CID 123519676
N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]acetamide
CID 135240867
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,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-(fluoromethyl)pyrrolidin-3-yl]amino]-2-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazine-7-carboxamide
CID 118253698
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
4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 118723921

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?
The IUPAC name of 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) is 8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide.
What is the SMILES notation for 8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?
The canonical SMILES for 8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide is Cn1cc(-c2cn3ncc(C(N)=O)c(NC4CCN(c5ccc(C#N)nn5)CC4(C)C)c3n2)cn1.
What is the InChIKey of 8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?
The InChIKey is BWPPEAVIJRXKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N11O/c1-23(2)13-33(19-5-4-15(8-24)30-31-19)7-6-18(23)29-20-16(21(25)35)10-27-34-12-17(28-22(20)34)14-9-26-32(3)11-14/h4-5,9-12,18,29H,6-7,13H2,1-3H3,(H2,25,35).
What are the key properties of 8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide?
8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-7-carboxamide is sourced from PubChem (CID 118253679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).