6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine

C17H20N6 — CID 143620203

IUPAC6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine
SMILESNc1cn2nc(N3CCC(Cc4cccnc4)CC3)ccc2n1
InChIInChI=1S/C17H20N6/c18-15-12-23-16(20-15)3-4-17(21-23)22-8-5-13(6-9-22)10-14-2-1-7-19-11-14/h1-4,7,11-13H,5-6,8-10,18H2
InChIKeyKVNXJNPHEWMBCV-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.17
Rot. Bonds3

About 6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine

6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine (PubChem CID 143620203) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine
PubChem CID143620203
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine
SMILESNc1cn2nc(N3CCC(Cc4cccnc4)CC3)ccc2n1
InChIInChI=1S/C17H20N6/c18-15-12-23-16(20-15)3-4-17(21-23)22-8-5-13(6-9-22)10-14-2-1-7-19-11-14/h1-4,7,11-13H,5-6,8-10,18H2
InChIKeyKVNXJNPHEWMBCV-UHFFFAOYSA-N
XLogP2.17
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine
CID 175739171
1-(pyridin-3-ylmethyl)-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]urea
CID 121022905
2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 138048071
4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124945029
[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66456001
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol
CID 15234849

Frequently Asked Questions

What is the IUPAC name of 6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine (CID 143620203) is 6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine is Nc1cn2nc(N3CCC(Cc4cccnc4)CC3)ccc2n1.
What is the InChIKey of 6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is KVNXJNPHEWMBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c18-15-12-23-16(20-15)3-4-17(21-23)22-8-5-13(6-9-22)10-14-2-1-7-19-11-14/h1-4,7,11-13H,5-6,8-10,18H2.
What are the key properties of 6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine?
6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 308.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 143620203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).