2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide

C24H23N5O2 — CID 66553192

IUPAC2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide
SMILESCOc1cc(C(N)=O)nn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12
InChIInChI=1S/C24H23N5O2/c1-31-19-14-18(22(25)30)28-29-21(16-6-3-2-4-7-16)20(27-23(19)29)15-8-10-17(11-9-15)24(26)12-5-13-24/h2-4,6-11,14H,5,12-13,26H2,1H3,(H2,25,30)
InChIKeyWGANHZDHIUTYKU-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.51
Rot. Bonds5

About 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide

2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 66553192) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID66553192
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide
SMILESCOc1cc(C(N)=O)nn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12
InChIInChI=1S/C24H23N5O2/c1-31-19-14-18(22(25)30)28-29-21(16-6-3-2-4-7-16)20(27-23(19)29)15-8-10-17(11-9-15)24(26)12-5-13-24/h2-4,6-11,14H,5,12-13,26H2,1H3,(H2,25,30)
InChIKeyWGANHZDHIUTYKU-UHFFFAOYSA-N
XLogP3.51
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide (CID 66553192) is 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide is COc1cc(C(N)=O)nn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12.
What is the InChIKey of 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is WGANHZDHIUTYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-19-14-18(22(25)30)28-29-21(16-6-3-2-4-7-16)20(27-23(19)29)15-8-10-17(11-9-15)24(26)12-5-13-24/h2-4,6-11,14H,5,12-13,26H2,1H3,(H2,25,30).
What are the key properties of 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide?
2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclobutyl)phenyl]-8-methoxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 66553192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).