N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide

C27H21FN6O3S — CID 137113316

IUPACN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C27H21FN6O3S/c1-38(36,37)31-11-15-5-16(7-18(28)6-15)20-3-2-4-23-21(20)9-25(32-23)27-22-10-24(30-14-26(22)33-34-27)17-8-19(35)13-29-12-17/h2-10,12-14,31-32,35H,11H2,1H3,(H,33,34)
InChIKeyGAYWCRWINAOXOR-UHFFFAOYSA-N
MW528.57 g/mol
LogP4.73
Rot. Bonds6

About N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide

N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 137113316) has the molecular formula C27H21FN6O3S and a molecular weight of 528.57 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID137113316
Molecular FormulaC27H21FN6O3S
Molecular Weight528.57 g/mol
Exact Mass528.14
IUPAC NameN-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C27H21FN6O3S/c1-38(36,37)31-11-15-5-16(7-18(28)6-15)20-3-2-4-23-21(20)9-25(32-23)27-22-10-24(30-14-26(22)33-34-27)17-8-19(35)13-29-12-17/h2-10,12-14,31-32,35H,11H2,1H3,(H,33,34)
InChIKeyGAYWCRWINAOXOR-UHFFFAOYSA-N
XLogP4.73
TPSA136.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide (CID 137113316) is N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)cc23)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is GAYWCRWINAOXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O3S/c1-38(36,37)31-11-15-5-16(7-18(28)6-15)20-3-2-4-23-21(20)9-25(32-23)27-22-10-24(30-14-26(22)33-34-27)17-8-19(35)13-29-12-17/h2-10,12-14,31-32,35H,11H2,1H3,(H,33,34).
What are the key properties of N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 528.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-[5-(5-hydroxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 137113316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).