6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C17H18N4O — CID 155550219

IUPAC6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12
InChIInChI=1S/C17H18N4O/c1-11(2)20-16-14(17(18)22)9-19-21-10-13(8-15(16)21)12-6-4-3-5-7-12/h3-11,20H,1-2H3,(H2,18,22)
InChIKeyYAFZKNDUZDZTNO-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.92
Rot. Bonds4

About 6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155550219) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID155550219
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12
InChIInChI=1S/C17H18N4O/c1-11(2)20-16-14(17(18)22)9-19-21-10-13(8-15(16)21)12-6-4-3-5-7-12/h3-11,20H,1-2H3,(H2,18,22)
InChIKeyYAFZKNDUZDZTNO-UHFFFAOYSA-N
XLogP2.92
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 155550219) is 6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is CC(C)Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12.
What is the InChIKey of 6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is YAFZKNDUZDZTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11(2)20-16-14(17(18)22)9-19-21-10-13(8-15(16)21)12-6-4-3-5-7-12/h3-11,20H,1-2H3,(H2,18,22).
What are the key properties of 6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(propan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155550219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).