3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide

C19H18N6O2 — CID 118288256

IUPAC3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCc1c(C(N)=O)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C19H18N6O2/c1-12-18(19(20)26)22-15-8-9-17(23-25(12)15)27-11-16-21-14(10-24(16)2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,20,26)
InChIKeyADSWKXZPKJGVSF-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.12
Rot. Bonds5

About 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide

3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 118288256) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID118288256
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCc1c(C(N)=O)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C19H18N6O2/c1-12-18(19(20)26)22-15-8-9-17(23-25(12)15)27-11-16-21-14(10-24(16)2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,20,26)
InChIKeyADSWKXZPKJGVSF-UHFFFAOYSA-N
XLogP2.12
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide (CID 118288256) is 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide is Cc1c(C(N)=O)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12.
What is the InChIKey of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is ADSWKXZPKJGVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-18(19(20)26)22-15-8-9-17(23-25(12)15)27-11-16-21-14(10-24(16)2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,20,26).
What are the key properties of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide?
3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 118288256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).