N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide

C31H32FN7O5S — CID 134448845

About N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide

N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide (PubChem CID 134448845) has the molecular formula C31H32FN7O5S and a molecular weight of 633.71 g/mol. Its IUPAC name is N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide.

Molecular Properties

• Compound Name: N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide
• PubChem CID: 134448845
• Molecular Formula: C31H32FN7O5S
• Molecular Weight: 633.71 g/mol
• Exact Mass: 633.22
• IUPAC Name: N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide
• SMILES: Cc1cc(Oc2ccccc2F)ncc1-n1ncc(C(=O)c2cc3cc(N(CCN4CCOCC4)S(C)=O)c(O)cc3[nH]2)c1N
• InChI: InChI=1S/C31H32FN7O5S/c1-19-13-29(44-28-6-4-3-5-22(28)32)34-18-26(19)39-31(33)21(17-35-39)30(41)24-14-20-15-25(27(40)16-23(20)36-24)38(45(2)42)8-7-37-9-11-43-12-10-37/h3-6,13-18,36,40H,7-12,33H2,1-2H3
• InChIKey: YMOSRQMBDQMZDO-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 151.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.71
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide?

The IUPAC name of N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide (CID 134448845) is N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide.

What is the SMILES notation for N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide?

The canonical SMILES for N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide is Cc1cc(Oc2ccccc2F)ncc1-n1ncc(C(=O)c2cc3cc(N(CCN4CCOCC4)S(C)=O)c(O)cc3[nH]2)c1N.

What is the InChIKey of N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide?

The InChIKey is YMOSRQMBDQMZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O5S/c1-19-13-29(44-28-6-4-3-5-22(28)32)34-18-26(19)39-31(33)21(17-35-39)30(41)24-14-20-15-25(27(40)16-23(20)36-24)38(45(2)42)8-7-37-9-11-43-12-10-37/h3-6,13-18,36,40H,7-12,33H2,1-2H3.

What are the key properties of N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide?

N-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide has a molecular weight of 633.71 g/mol, XLogP of 3.94, 10 rotatable bonds, 3 hydrogen bond donors, and 10 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-hydroxy-1H-indol-5-yl]-N-(2-morpholin-4-ylethyl)methanesulfinamide is sourced from PubChem (CID 134448845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).