N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide

C28H27F3N6O4S — CID 134448854

About N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide

N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide (PubChem CID 134448854) has the molecular formula C28H27F3N6O4S and a molecular weight of 600.62 g/mol. Its IUPAC name is N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide
• PubChem CID: 134448854
• Molecular Formula: C28H27F3N6O4S
• Molecular Weight: 600.62 g/mol
• Exact Mass: 600.18
• IUPAC Name: N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide
• SMILES: CC1=CC(Oc2c(F)cccc2F)NC=C1n1ncc(C(=O)c2cc3cc(F)c(N(C(C)C)S(C)(=O)=O)cc3[nH]2)c1N
• InChI: InChI=1S/C28H27F3N6O4S/c1-14(2)37(42(4,39)40)23-11-21-16(9-20(23)31)10-22(35-21)26(38)17-12-34-36(28(17)32)24-13-33-25(8-15(24)3)41-27-18(29)6-5-7-19(27)30/h5-14,25,33,35H,32H2,1-4H3
• InChIKey: JFNCLYGJBISZBP-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 135.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.62
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide?

The IUPAC name of N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide (CID 134448854) is N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide.

What is the SMILES notation for N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide?

The canonical SMILES for N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide is CC1=CC(Oc2c(F)cccc2F)NC=C1n1ncc(C(=O)c2cc3cc(F)c(N(C(C)C)S(C)(=O)=O)cc3[nH]2)c1N.

What is the InChIKey of N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide?

The InChIKey is JFNCLYGJBISZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O4S/c1-14(2)37(42(4,39)40)23-11-21-16(9-20(23)31)10-22(35-21)26(38)17-12-34-36(28(17)32)24-13-33-25(8-15(24)3)41-27-18(29)6-5-7-19(27)30/h5-14,25,33,35H,32H2,1-4H3.

What are the key properties of N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide?

N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 600.62 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-amino-1-[2-(2,6-difluorophenoxy)-4-methyl-1,2-dihydropyridin-5-yl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 134448854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).