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

C19H21N9 — CID 66549112

IUPACN-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4cnn(-c5cnccn5)c4)n3n2)CC1
InChIInChI=1S/C19H21N9/c1-26-8-4-15(5-9-26)24-17-2-3-18-22-11-16(28(18)25-17)14-10-23-27(13-14)19-12-20-6-7-21-19/h2-3,6-7,10-13,15H,4-5,8-9H2,1H3,(H,24,25)
InChIKeyTVZFZVLMJJPNJS-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.88
Rot. Bonds4

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

N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66549112) has the molecular formula C19H21N9 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID66549112
Molecular FormulaC19H21N9
Molecular Weight375.44 g/mol
Exact Mass375.19
IUPAC NameN-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4cnn(-c5cnccn5)c4)n3n2)CC1
InChIInChI=1S/C19H21N9/c1-26-8-4-15(5-9-26)24-17-2-3-18-22-11-16(28(18)25-17)14-10-23-27(13-14)19-12-20-6-7-21-19/h2-3,6-7,10-13,15H,4-5,8-9H2,1H3,(H,24,25)
InChIKeyTVZFZVLMJJPNJS-UHFFFAOYSA-N
XLogP1.88
TPSA89.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 66549112) is N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine is CN1CCC(Nc2ccc3ncc(-c4cnn(-c5cnccn5)c4)n3n2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is TVZFZVLMJJPNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9/c1-26-8-4-15(5-9-26)24-17-2-3-18-22-11-16(28(18)25-17)14-10-23-27(13-14)19-12-20-6-7-21-19/h2-3,6-7,10-13,15H,4-5,8-9H2,1H3,(H,24,25).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 375.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66549112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).