1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine

C26H28F3N7O2 — CID 168988904

About 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine

1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine (PubChem CID 168988904) has the molecular formula C26H28F3N7O2 and a molecular weight of 527.55 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine
• PubChem CID: 168988904
• Molecular Formula: C26H28F3N7O2
• Molecular Weight: 527.55 g/mol
• Exact Mass: 527.23
• IUPAC Name: 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine
• SMILES: CC(C)n1ncc2c(N3CCCC3)c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)cc(F)c21.CN
• InChI: InChI=1S/C25H23F3N6O2.CH5N/c1-14(2)33-22-15(13-29-33)23(32-10-3-4-11-32)20(12-18(22)28)30-25(36)19-8-9-21(35)34(31-19)24-16(26)6-5-7-17(24)27;1-2/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,30,36);2H2,1H3
• InChIKey: VDOGUUGZAQTWNK-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 111.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.55
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine?

The IUPAC name of 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine (CID 168988904) is 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine.

What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine?

The canonical SMILES for 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine is CC(C)n1ncc2c(N3CCCC3)c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)cc(F)c21.CN.

What is the InChIKey of 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine?

The InChIKey is VDOGUUGZAQTWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2.CH5N/c1-14(2)33-22-15(13-29-33)23(32-10-3-4-11-32)20(12-18(22)28)30-25(36)19-8-9-21(35)34(31-19)24-16(26)6-5-7-17(24)27;1-2/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,30,36);2H2,1H3.

What are the key properties of 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine?

1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine has a molecular weight of 527.55 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-N-(7-fluoro-1-propan-2-yl-4-pyrrolidin-1-ylindazol-5-yl)-6-oxopyridazine-3-carboxamide;methanamine is sourced from PubChem (CID 168988904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).