N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine

C20H25N5 — CID 170769646

IUPACN-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine
SMILESCc1ccc(NC2CCCCCCC2)nc1-c1cnc2cccnn12
InChIInChI=1S/C20H25N5/c1-15-11-12-18(23-16-8-5-3-2-4-6-9-16)24-20(15)17-14-21-19-10-7-13-22-25(17)19/h7,10-14,16H,2-6,8-9H2,1H3,(H,23,24)
InChIKeyBBYLVIWKOBDVSH-UHFFFAOYSA-N
MW335.46 g/mol
LogP4.62
Rot. Bonds3

About N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine

N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine (PubChem CID 170769646) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine
PubChem CID170769646
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC NameN-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine
SMILESCc1ccc(NC2CCCCCCC2)nc1-c1cnc2cccnn12
InChIInChI=1S/C20H25N5/c1-15-11-12-18(23-16-8-5-3-2-4-6-9-16)24-20(15)17-14-21-19-10-7-13-22-25(17)19/h7,10-14,16H,2-6,8-9H2,1H3,(H,23,24)
InChIKeyBBYLVIWKOBDVSH-UHFFFAOYSA-N
XLogP4.62
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine
CID 144699049
N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane
CID 164537186
3-[5-cyclopentyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-b]pyridazine
CID 146041307
N-cyclohexyl-6-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
CID 58303580
2-[1-[(1R,2R)-2-hydroxycyclohexyl]-5-imidazo[1,2-b]pyridazin-3-yl-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146045389
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
N-cyclopropylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372297
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
3-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazine
CID 91166867
3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 25102960
3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol
CID 150471195
N-cyclohexyl-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 123690398

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine?
The IUPAC name of N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine (CID 170769646) is N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine.
What is the SMILES notation for N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine?
The canonical SMILES for N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine is Cc1ccc(NC2CCCCCCC2)nc1-c1cnc2cccnn12.
What is the InChIKey of N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine?
The InChIKey is BBYLVIWKOBDVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-11-12-18(23-16-8-5-3-2-4-6-9-16)24-20(15)17-14-21-19-10-7-13-22-25(17)19/h7,10-14,16H,2-6,8-9H2,1H3,(H,23,24).
What are the key properties of N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine?
N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine has a molecular weight of 335.46 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-6-imidazo[1,2-b]pyridazin-3-yl-5-methylpyridin-2-amine is sourced from PubChem (CID 170769646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).