N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide

C23H20FN5O3S — CID 147837559

IUPACN-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)c3cnn(Cc4ccc(F)cc4)c3c2)c2cc[nH]c(=O)c21
InChIInChI=1S/C23H20FN5O3S/c1-28-13-19(17-7-8-25-23(30)22(17)28)15-9-20(27-33(2,31)32)18-11-26-29(21(18)10-15)12-14-3-5-16(24)6-4-14/h3-11,13,27H,12H2,1-2H3,(H,25,30)
InChIKeyHSHYHFBXEQBEOV-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.44
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide

N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide (PubChem CID 147837559) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide
PubChem CID147837559
Molecular FormulaC23H20FN5O3S
Molecular Weight465.51 g/mol
Exact Mass465.13
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)c3cnn(Cc4ccc(F)cc4)c3c2)c2cc[nH]c(=O)c21
InChIInChI=1S/C23H20FN5O3S/c1-28-13-19(17-7-8-25-23(30)22(17)28)15-9-20(27-33(2,31)32)18-11-26-29(21(18)10-15)12-14-3-5-16(24)6-4-14/h3-11,13,27H,12H2,1-2H3,(H,25,30)
InChIKeyHSHYHFBXEQBEOV-UHFFFAOYSA-N
XLogP3.44
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide (CID 147837559) is N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide is Cn1cc(-c2cc(NS(C)(=O)=O)c3cnn(Cc4ccc(F)cc4)c3c2)c2cc[nH]c(=O)c21.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide?
The InChIKey is HSHYHFBXEQBEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3S/c1-28-13-19(17-7-8-25-23(30)22(17)28)15-9-20(27-33(2,31)32)18-11-26-29(21(18)10-15)12-14-3-5-16(24)6-4-14/h3-11,13,27H,12H2,1-2H3,(H,25,30).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide?
N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide has a molecular weight of 465.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 147837559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).