8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride

C18H21ClN6O — CID 164572977

IUPAC8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride
SMILESCOc1cc(-c2cn3nccc(N4CC5CCC(C4)N5)c3n2)ccn1.Cl
InChIInChI=1S/C18H20N6O.ClH/c1-25-17-8-12(4-6-19-17)15-11-24-18(22-15)16(5-7-20-24)23-9-13-2-3-14(10-23)21-13;/h4-8,11,13-14,21H,2-3,9-10H2,1H3;1H
InChIKeyZNIQRPXKCYFNLP-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.16
Rot. Bonds3

About 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride

8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride (PubChem CID 164572977) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride.

Molecular Properties

Compound Name8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride
PubChem CID164572977
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride
SMILESCOc1cc(-c2cn3nccc(N4CC5CCC(C4)N5)c3n2)ccn1.Cl
InChIInChI=1S/C18H20N6O.ClH/c1-25-17-8-12(4-6-19-17)15-11-24-18(22-15)16(5-7-20-24)23-9-13-2-3-14(10-23)21-13;/h4-8,11,13-14,21H,2-3,9-10H2,1H3;1H
InChIKeyZNIQRPXKCYFNLP-UHFFFAOYSA-N
XLogP2.16
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride with MolForge

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Related Compounds

tert-butyl 3-[7-fluoro-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 164573012
3-[(5R)-3-[2-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]cyclobutane-1-carbonitrile
CID 175983100
3-[4-(2-methoxyphenyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 166248012
4-[(5S)-8-cyclobutyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 170704869
(1E,3E)-3-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)pyrrolo[1,2-b]pyridazin-6-yl]-1-methoxybuta-1,3-diene-1,4-diamine
CID 164573020
5-[4-[(1S)-1-[6-(2-methoxy-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131984724
ethane;2-(2-methoxy-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
CID 145168511
4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 170970741
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole
CID 155951530
3-[(5S)-3-[2-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]cyclobutane-1-carbonitrile
CID 170704857
5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141394397
3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942365

Frequently Asked Questions

What is the IUPAC name of 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride?
The IUPAC name of 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride (CID 164572977) is 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride.
What is the SMILES notation for 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride?
The canonical SMILES for 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride is COc1cc(-c2cn3nccc(N4CC5CCC(C4)N5)c3n2)ccn1.Cl.
What is the InChIKey of 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride?
The InChIKey is ZNIQRPXKCYFNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O.ClH/c1-25-17-8-12(4-6-19-17)15-11-24-18(22-15)16(5-7-20-24)23-9-13-2-3-14(10-23)21-13;/h4-8,11,13-14,21H,2-3,9-10H2,1H3;1H.
What are the key properties of 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride?
8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrochloride is sourced from PubChem (CID 164572977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).