1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide

C24H22F2N6O2 — CID 168988493

About 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide

1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 168988493) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide
• PubChem CID: 168988493
• Molecular Formula: C24H22F2N6O2
• Molecular Weight: 464.48 g/mol
• Exact Mass: 464.18
• IUPAC Name: 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide
• SMILES: C[C@@H]1CCN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2cnn3C)C1
• InChI: InChI=1S/C24H22F2N6O2/c1-14-10-11-31(13-14)22-15-12-27-30(2)20(15)8-6-18(22)28-24(34)19-7-9-21(33)32(29-19)23-16(25)4-3-5-17(23)26/h3-9,12,14H,10-11,13H2,1-2H3,(H,28,34)/t14-/m1/s1
• InChIKey: BHXYFZGGICMJIF-CQSZACIVSA-N
• XLogP: 3.50
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.48
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide?

The IUPAC name of 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide (CID 168988493) is 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide.

What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide?

The canonical SMILES for 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide is C[C@@H]1CCN(c2c(NC(=O)c3ccc(=O)n(-c4c(F)cccc4F)n3)ccc3c2cnn3C)C1.

What is the InChIKey of 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide?

The InChIKey is BHXYFZGGICMJIF-CQSZACIVSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-14-10-11-31(13-14)22-15-12-27-30(2)20(15)8-6-18(22)28-24(34)19-7-9-21(33)32(29-19)23-16(25)4-3-5-17(23)26/h3-9,12,14H,10-11,13H2,1-2H3,(H,28,34)/t14-/m1/s1.

What are the key properties of 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide?

1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-N-[1-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]indazol-5-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 168988493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).