3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine

C26H29N5 — CID 146316112

IUPAC3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cc(-c2ccc3ncc(-c4ccc(CN5CCC(C)(C)CC5)cc4)n3n2)ccn1
InChIInChI=1S/C26H29N5/c1-19-16-22(10-13-27-19)23-8-9-25-28-17-24(31(25)29-23)21-6-4-20(5-7-21)18-30-14-11-26(2,3)12-15-30/h4-10,13,16-17H,11-12,14-15,18H2,1-3H3
InChIKeyHTIDIJSGMFOSEG-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.39
Rot. Bonds4

About 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine

3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 146316112) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID146316112
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cc(-c2ccc3ncc(-c4ccc(CN5CCC(C)(C)CC5)cc4)n3n2)ccn1
InChIInChI=1S/C26H29N5/c1-19-16-22(10-13-27-19)23-8-9-25-28-17-24(31(25)29-23)21-6-4-20(5-7-21)18-30-14-11-26(2,3)12-15-30/h4-10,13,16-17H,11-12,14-15,18H2,1-3H3
InChIKeyHTIDIJSGMFOSEG-UHFFFAOYSA-N
XLogP5.39
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine (CID 146316112) is 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine is Cc1cc(-c2ccc3ncc(-c4ccc(CN5CCC(C)(C)CC5)cc4)n3n2)ccn1.
What is the InChIKey of 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is HTIDIJSGMFOSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-19-16-22(10-13-27-19)23-8-9-25-28-17-24(31(25)29-23)21-6-4-20(5-7-21)18-30-14-11-26(2,3)12-15-30/h4-10,13,16-17H,11-12,14-15,18H2,1-3H3.
What are the key properties of 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine?
3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 411.55 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 146316112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).