3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine

C21H29N7 — CID 53357175

IUPAC3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)CCNc1ccc(-c2cnc3ccc(NC4CCNCC4)nn23)cn1
InChIInChI=1S/C21H29N7/c1-15(2)7-12-23-19-4-3-16(13-24-19)18-14-25-21-6-5-20(27-28(18)21)26-17-8-10-22-11-9-17/h3-6,13-15,17,22H,7-12H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyXRTNQCXDGCEFCK-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.41
Rot. Bonds7

About 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine

3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 53357175) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID53357175
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC Name3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)CCNc1ccc(-c2cnc3ccc(NC4CCNCC4)nn23)cn1
InChIInChI=1S/C21H29N7/c1-15(2)7-12-23-19-4-3-16(13-24-19)18-14-25-21-6-5-20(27-28(18)21)26-17-8-10-22-11-9-17/h3-6,13-15,17,22H,7-12H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyXRTNQCXDGCEFCK-UHFFFAOYSA-N
XLogP3.41
TPSA79.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine with MolForge

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Related Compounds

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CID 68289010
Adipiplon
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Amdizalisib
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R121919
CID 9821250
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine (CID 53357175) is 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine is CC(C)CCNc1ccc(-c2cnc3ccc(NC4CCNCC4)nn23)cn1.
What is the InChIKey of 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is XRTNQCXDGCEFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-15(2)7-12-23-19-4-3-16(13-24-19)18-14-25-21-6-5-20(27-28(18)21)26-17-8-10-22-11-9-17/h3-6,13-15,17,22H,7-12H2,1-2H3,(H,23,24)(H,26,27).
What are the key properties of 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine?
3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 379.51 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-piperidin-4-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 53357175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).