3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine

C23H24N12O — CID 67535361

IUPAC3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
SMILESCc1nc(Nc2ccc(N3CCOCC3C)nn2)cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1
InChIInChI=1S/C23H24N12O/c1-14-13-36-11-10-34(14)21-6-5-17(32-33-21)28-19-12-16(26-15(2)27-19)22-23(29-18-7-9-24-31-18)30-20-4-3-8-25-35(20)22/h3-9,12,14H,10-11,13H2,1-2H3,(H2,24,29,31)(H,26,27,28,32)
InChIKeyOKZGPFAKPFWPHF-UHFFFAOYSA-N
MW484.53 g/mol
LogP2.72
Rot. Bonds6

About 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine

3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine (PubChem CID 67535361) has the molecular formula C23H24N12O and a molecular weight of 484.53 g/mol. Its IUPAC name is 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
PubChem CID67535361
Molecular FormulaC23H24N12O
Molecular Weight484.53 g/mol
Exact Mass484.22
IUPAC Name3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
SMILESCc1nc(Nc2ccc(N3CCOCC3C)nn2)cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1
InChIInChI=1S/C23H24N12O/c1-14-13-36-11-10-34(14)21-6-5-17(32-33-21)28-19-12-16(26-15(2)27-19)22-23(29-18-7-9-24-31-18)30-20-4-3-8-25-35(20)22/h3-9,12,14H,10-11,13H2,1-2H3,(H2,24,29,31)(H,26,27,28,32)
InChIKeyOKZGPFAKPFWPHF-UHFFFAOYSA-N
XLogP2.72
TPSA146.96 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine with MolForge

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Related Compounds

3-[2-methyl-6-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
CID 66790888
3-[6-[[6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
CID 66790089
4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928001
4-(3,5-dimethyltriazol-4-yl)-3-methyl-6-(3-methylmorpholin-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 170305522
2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile
CID 166928099
1-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclopentane-1-carbonitrile
CID 166927935
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928055
(3R)-4-[7-(3,5-dimethyltriazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
CID 169035109
methane;3-methanimidoyl-6-(3-methylmorpholin-4-yl)-4-[(5S)-8-oxabicyclo[3.2.1]octan-3-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166149944
3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)-4-(1,3,4-thiadiazol-2-yl)pyridin-2-amine
CID 155585687
3-(iodomethyl)-6-[(3R)-3-methylmorpholin-4-yl]-4-(1-methylsulfonylcyclopropyl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 170361452
2-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]-2-methylpropanenitrile
CID 155585674

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine (CID 67535361) is 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine is Cc1nc(Nc2ccc(N3CCOCC3C)nn2)cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1.
What is the InChIKey of 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is OKZGPFAKPFWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N12O/c1-14-13-36-11-10-34(14)21-6-5-17(32-33-21)28-19-12-16(26-15(2)27-19)22-23(29-18-7-9-24-31-18)30-20-4-3-8-25-35(20)22/h3-9,12,14H,10-11,13H2,1-2H3,(H2,24,29,31)(H,26,27,28,32).
What are the key properties of 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 484.53 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[[6-(3-methylmorpholin-4-yl)pyridazin-3-yl]amino]pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 67535361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).