3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

C20H29N7 — CID 73357072

IUPAC3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)CCn1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
InChIInChI=1S/C20H29N7/c1-15(2)6-11-26-14-16(12-22-26)18-13-21-20-5-4-19(24-27(18)20)23-17-7-9-25(3)10-8-17/h4-5,12-15,17H,6-11H2,1-3H3,(H,23,24)
InChIKeySMDYKOJNQWJOHN-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.14
Rot. Bonds6

About 3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 73357072) has the molecular formula C20H29N7 and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID73357072
Molecular FormulaC20H29N7
Molecular Weight367.50 g/mol
Exact Mass367.25
IUPAC Name3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)CCn1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
InChIInChI=1S/C20H29N7/c1-15(2)6-11-26-14-16(12-22-26)18-13-21-20-5-4-19(24-27(18)20)23-17-7-9-25(3)10-8-17/h4-5,12-15,17H,6-11H2,1-3H3,(H,23,24)
InChIKeySMDYKOJNQWJOHN-UHFFFAOYSA-N
XLogP3.14
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 73357072) is 3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is CC(C)CCn1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1.
What is the InChIKey of 3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is SMDYKOJNQWJOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7/c1-15(2)6-11-26-14-16(12-22-26)18-13-21-20-5-4-19(24-27(18)20)23-17-7-9-25(3)10-8-17/h4-5,12-15,17H,6-11H2,1-3H3,(H,23,24).
What are the key properties of 3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 367.50 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylbutyl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 73357072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).