N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide

C27H24FN5O4S — CID 148925734

About N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide

N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide (PubChem CID 148925734) has the molecular formula C27H24FN5O4S and a molecular weight of 533.59 g/mol. Its IUPAC name is N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide
• PubChem CID: 148925734
• Molecular Formula: C27H24FN5O4S
• Molecular Weight: 533.59 g/mol
• Exact Mass: 533.15
• IUPAC Name: N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide
• SMILES: Cc1cc2c(cc1NS(C)(=O)=O)C=C(C(=O)c1cnn(-c3cnc(Oc4ccccc4F)cc3C)c1N)C2
• InChI: InChI=1S/C27H24FN5O4S/c1-15-8-17-10-19(11-18(17)12-22(15)32-38(3,35)36)26(34)20-13-31-33(27(20)29)23-14-30-25(9-16(23)2)37-24-7-5-4-6-21(24)28/h4-9,11-14,32H,10,29H2,1-3H3
• InChIKey: PKYJIKVTUSJGOM-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 129.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.59
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide?

The IUPAC name of N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide (CID 148925734) is N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide.

What is the SMILES notation for N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide?

The canonical SMILES for N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide is Cc1cc2c(cc1NS(C)(=O)=O)C=C(C(=O)c1cnn(-c3cnc(Oc4ccccc4F)cc3C)c1N)C2.

What is the InChIKey of N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide?

The InChIKey is PKYJIKVTUSJGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O4S/c1-15-8-17-10-19(11-18(17)12-22(15)32-38(3,35)36)26(34)20-13-31-33(27(20)29)23-14-30-25(9-16(23)2)37-24-7-5-4-6-21(24)28/h4-9,11-14,32H,10,29H2,1-3H3.

What are the key properties of N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide?

N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide has a molecular weight of 533.59 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-1H-inden-5-yl]methanesulfonamide is sourced from PubChem (CID 148925734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).