2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine

C22H28N6 — CID 67218084

IUPAC2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
SMILESCCc1cc(-c2c(CC3CC3)nc3ccc(N4CCNC(C)C4)nn23)ccn1
InChIInChI=1S/C22H28N6/c1-3-18-13-17(8-9-24-18)22-19(12-16-4-5-16)25-20-6-7-21(26-28(20)22)27-11-10-23-15(2)14-27/h6-9,13,15-16,23H,3-5,10-12,14H2,1-2H3
InChIKeyVOKXWFGICDNEPT-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.10
Rot. Bonds5

About 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine

2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 67218084) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
PubChem CID67218084
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
SMILESCCc1cc(-c2c(CC3CC3)nc3ccc(N4CCNC(C)C4)nn23)ccn1
InChIInChI=1S/C22H28N6/c1-3-18-13-17(8-9-24-18)22-19(12-16-4-5-16)25-20-6-7-21(26-28(20)22)27-11-10-23-15(2)14-27/h6-9,13,15-16,23H,3-5,10-12,14H2,1-2H3
InChIKeyVOKXWFGICDNEPT-UHFFFAOYSA-N
XLogP3.10
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine (CID 67218084) is 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine is CCc1cc(-c2c(CC3CC3)nc3ccc(N4CCNC(C)C4)nn23)ccn1.
What is the InChIKey of 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is VOKXWFGICDNEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-3-18-13-17(8-9-24-18)22-19(12-16-4-5-16)25-20-6-7-21(26-28(20)22)27-11-10-23-15(2)14-27/h6-9,13,15-16,23H,3-5,10-12,14H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 376.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 67218084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).