N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide

C32H37F3N6O3S — CID 169294803

IUPACN-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2cc(F)c(-c3nn(C(C)C)c4c(C5CCC(N6CCOCC6)CC5)cnc(N)c34)cc2F)c1
InChIInChI=1S/C32H37F3N6O3S/c1-18(2)41-31-23(20-5-7-21(8-6-20)40-10-12-44-13-11-40)17-37-32(36)29(31)30(38-41)22-15-26(35)27(16-25(22)34)39-45(42,43)28-14-19(3)4-9-24(28)33/h4,9,14-18,20-21,39H,5-8,10-13H2,1-3H3,(H2,36,37)
InChIKeyZEINUVACDVIKJH-UHFFFAOYSA-N
MW642.75 g/mol
LogP6.15
Rot. Bonds7

About N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide

N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide (PubChem CID 169294803) has the molecular formula C32H37F3N6O3S and a molecular weight of 642.75 g/mol. Its IUPAC name is N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide
PubChem CID169294803
Molecular FormulaC32H37F3N6O3S
Molecular Weight642.75 g/mol
Exact Mass642.26
IUPAC NameN-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2cc(F)c(-c3nn(C(C)C)c4c(C5CCC(N6CCOCC6)CC5)cnc(N)c34)cc2F)c1
InChIInChI=1S/C32H37F3N6O3S/c1-18(2)41-31-23(20-5-7-21(8-6-20)40-10-12-44-13-11-40)17-37-32(36)29(31)30(38-41)22-15-26(35)27(16-25(22)34)39-45(42,43)28-14-19(3)4-9-24(28)33/h4,9,14-18,20-21,39H,5-8,10-13H2,1-3H3,(H2,36,37)
InChIKeyZEINUVACDVIKJH-UHFFFAOYSA-N
XLogP6.15
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.75
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide (CID 169294803) is N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2cc(F)c(-c3nn(C(C)C)c4c(C5CCC(N6CCOCC6)CC5)cnc(N)c34)cc2F)c1.
What is the InChIKey of N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide?
The InChIKey is ZEINUVACDVIKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N6O3S/c1-18(2)41-31-23(20-5-7-21(8-6-20)40-10-12-44-13-11-40)17-37-32(36)29(31)30(38-41)22-15-26(35)27(16-25(22)34)39-45(42,43)28-14-19(3)4-9-24(28)33/h4,9,14-18,20-21,39H,5-8,10-13H2,1-3H3,(H2,36,37).
What are the key properties of N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide?
N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide has a molecular weight of 642.75 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-7-(4-morpholin-4-ylcyclohexyl)-1-propan-2-ylpyrazolo[4,5-c]pyridin-3-yl]-2,5-difluorophenyl]-2-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 169294803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).