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

C19H27N7 — CID 73346435

IUPACN-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)Cn1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
InChIInChI=1S/C19H27N7/c1-14(2)12-25-13-15(10-21-25)17-11-20-19-5-4-18(23-26(17)19)22-16-6-8-24(3)9-7-16/h4-5,10-11,13-14,16H,6-9,12H2,1-3H3,(H,22,23)
InChIKeyODYAJWNOJDWIDV-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.75
Rot. Bonds5

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

N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 73346435) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID73346435
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC NameN-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)Cn1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
InChIInChI=1S/C19H27N7/c1-14(2)12-25-13-15(10-21-25)17-11-20-19-5-4-18(23-26(17)19)22-16-6-8-24(3)9-7-16/h4-5,10-11,13-14,16H,6-9,12H2,1-3H3,(H,22,23)
InChIKeyODYAJWNOJDWIDV-UHFFFAOYSA-N
XLogP2.75
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine (CID 73346435) is N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine is CC(C)Cn1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is ODYAJWNOJDWIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-14(2)12-25-13-15(10-21-25)17-11-20-19-5-4-18(23-26(17)19)22-16-6-8-24(3)9-7-16/h4-5,10-11,13-14,16H,6-9,12H2,1-3H3,(H,22,23).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine?
N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 353.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 73346435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).