8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide

C20H18N6O — CID 140943145

IUPAC8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccc(-c3ccccc3)c2)nn2c(C(N)=O)cnc12
InChIInChI=1S/C20H18N6O/c1-22-16-11-18(25-26-17(19(21)27)12-23-20(16)26)24-15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-12,22H,1H3,(H2,21,27)(H,24,25)
InChIKeySWSARBCXBKPUSA-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.28
Rot. Bonds5

About 8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide

8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 140943145) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID140943145
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCNc1cc(Nc2cccc(-c3ccccc3)c2)nn2c(C(N)=O)cnc12
InChIInChI=1S/C20H18N6O/c1-22-16-11-18(25-26-17(19(21)27)12-23-20(16)26)24-15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-12,22H,1H3,(H2,21,27)(H,24,25)
InChIKeySWSARBCXBKPUSA-UHFFFAOYSA-N
XLogP3.28
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 140943145) is 8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccc(-c3ccccc3)c2)nn2c(C(N)=O)cnc12.
What is the InChIKey of 8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SWSARBCXBKPUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-22-16-11-18(25-26-17(19(21)27)12-23-20(16)26)24-15-9-5-8-14(10-15)13-6-3-2-4-7-13/h2-12,22H,1H3,(H2,21,27)(H,24,25).
What are the key properties of 8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide?
8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-(3-phenylanilino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 140943145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).