methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine)

C29H41N9 — CID 158768927

IUPACmethane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine)
SMILESC.C.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2ccnn12.CC(C)c1ccnn2ccnc12
InChIInChI=1S/3C9H11N3.2CH4/c2*1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-3-4-11-12-6-5-10-9(8)12;;/h3*3-7H,1-2H3;2*1H4
InChIKeyIPPURPFMXAZBPV-UHFFFAOYSA-N
MW515.71 g/mol
LogP6.83
Rot. Bonds3

About methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine)

methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine) (PubChem CID 158768927) has the molecular formula C29H41N9 and a molecular weight of 515.71 g/mol. Its IUPAC name is methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine).

Molecular Properties

Compound Namemethane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine)
PubChem CID158768927
Molecular FormulaC29H41N9
Molecular Weight515.71 g/mol
Exact Mass515.35
IUPAC Namemethane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine)
SMILESC.C.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2ccnn12.CC(C)c1ccnn2ccnc12
InChIInChI=1S/3C9H11N3.2CH4/c2*1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-3-4-11-12-6-5-10-9(8)12;;/h3*3-7H,1-2H3;2*1H4
InChIKeyIPPURPFMXAZBPV-UHFFFAOYSA-N
XLogP6.83
TPSA90.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.71
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 123870425
7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 168654914
N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110858108
ethane;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 167592704
4,5-di(propan-2-yl)pyrrolo[1,2-b]pyridazine
CID 58297681
ethane;8-methylimidazo[1,2-b]pyridazine
CID 163275224
8-iodoimidazo[1,2-b]pyridazine
CID 68519749
7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 84660602
N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110851024
2-imidazo[1,2-b]pyridazin-8-yl-5-phenyl-1,3-oxazole
CID 69415059
deuterium monohydride;ethane;methane;2-methylpropane;2-methyl-1-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole
CID 158768890
8-propan-2-yl-12-oxa-3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene
CID 167511290

Frequently Asked Questions

What is the IUPAC name of methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine)?
The IUPAC name of methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine) (CID 158768927) is methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine).
What is the SMILES notation for methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine)?
The canonical SMILES for methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine) is C.C.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2ccnn12.CC(C)c1ccnn2ccnc12.
What is the InChIKey of methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine)?
The InChIKey is IPPURPFMXAZBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H11N3.2CH4/c2*1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-3-4-11-12-6-5-10-9(8)12;;/h3*3-7H,1-2H3;2*1H4.
What are the key properties of methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine)?
methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine) has a molecular weight of 515.71 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;8-propan-2-ylimidazo[1,2-b]pyridazine;bis(7-propan-2-ylpyrazolo[1,5-a]pyrimidine) is sourced from PubChem (CID 158768927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).