9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine

C19H22N8O — CID 154580530

IUPAC9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine
SMILESCc1cn2nc(OCC3CCN(c4ncnc5c4ncn5C)CC3)ccc2n1
InChIInChI=1S/C19H22N8O/c1-13-9-27-15(23-13)3-4-16(24-27)28-10-14-5-7-26(8-6-14)19-17-18(20-11-21-19)25(2)12-22-17/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyBBTQCQVMZOGAMI-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.01
Rot. Bonds4

About 9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine

9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine (PubChem CID 154580530) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine.

Molecular Properties

Compound Name9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine
PubChem CID154580530
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine
SMILESCc1cn2nc(OCC3CCN(c4ncnc5c4ncn5C)CC3)ccc2n1
InChIInChI=1S/C19H22N8O/c1-13-9-27-15(23-13)3-4-16(24-27)28-10-14-5-7-26(8-6-14)19-17-18(20-11-21-19)25(2)12-22-17/h3-4,9,11-12,14H,5-8,10H2,1-2H3
InChIKeyBBTQCQVMZOGAMI-UHFFFAOYSA-N
XLogP2.01
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine?
The IUPAC name of 9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine (CID 154580530) is 9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine.
What is the SMILES notation for 9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine?
The canonical SMILES for 9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine is Cc1cn2nc(OCC3CCN(c4ncnc5c4ncn5C)CC3)ccc2n1.
What is the InChIKey of 9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine?
The InChIKey is BBTQCQVMZOGAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-13-9-27-15(23-13)3-4-16(24-27)28-10-14-5-7-26(8-6-14)19-17-18(20-11-21-19)25(2)12-22-17/h3-4,9,11-12,14H,5-8,10H2,1-2H3.
What are the key properties of 9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine?
9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine has a molecular weight of 378.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-[4-[(2-methylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]purine is sourced from PubChem (CID 154580530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).