6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C16H21F2N5O2 — CID 77487424

About 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 77487424) has the molecular formula C16H21F2N5O2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 77487424
• Molecular Formula: C16H21F2N5O2
• Molecular Weight: 353.37 g/mol
• Exact Mass: 353.17
• IUPAC Name: 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
• SMILES: CC(Nc1c(C(N)=O)cnn2cc(NC(=O)C(F)F)cc12)C(C)(C)C
• InChI: InChI=1S/C16H21F2N5O2/c1-8(16(2,3)4)21-12-10(14(19)24)6-20-23-7-9(5-11(12)23)22-15(25)13(17)18/h5-8,13,21H,1-4H3,(H2,19,24)(H,22,25)
• InChIKey: ICBAPIFNEYLOGC-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 101.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.37
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 77487424) is 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is CC(Nc1c(C(N)=O)cnn2cc(NC(=O)C(F)F)cc12)C(C)(C)C.

What is the InChIKey of 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is ICBAPIFNEYLOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O2/c1-8(16(2,3)4)21-12-10(14(19)24)6-20-23-7-9(5-11(12)23)22-15(25)13(17)18/h5-8,13,21H,1-4H3,(H2,19,24)(H,22,25).

What are the key properties of 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2,2-difluoroacetyl)amino]-4-(3,3-dimethylbutan-2-ylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 77487424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).