N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide

C21H15F2N7O3S — CID 154634920

IUPACN-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide
SMILESCOc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5ccccc5)c4F)nn3)cc12
InChIInChI=1S/C21H15F2N7O3S/c1-33-21-14-9-12(10-24-20(14)26-27-21)17-11-30(29-25-17)19-15(22)7-8-16(18(19)23)28-34(31,32)13-5-3-2-4-6-13/h2-11,28H,1H3,(H,24,26,27)
InChIKeyHLUOHTWAGISGKV-UHFFFAOYSA-N
MW483.46 g/mol
LogP3.29
Rot. Bonds6

About N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide

N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 154634920) has the molecular formula C21H15F2N7O3S and a molecular weight of 483.46 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide
PubChem CID154634920
Molecular FormulaC21H15F2N7O3S
Molecular Weight483.46 g/mol
Exact Mass483.09
IUPAC NameN-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide
SMILESCOc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5ccccc5)c4F)nn3)cc12
InChIInChI=1S/C21H15F2N7O3S/c1-33-21-14-9-12(10-24-20(14)26-27-21)17-11-30(29-25-17)19-15(22)7-8-16(18(19)23)28-34(31,32)13-5-3-2-4-6-13/h2-11,28H,1H3,(H,24,26,27)
InChIKeyHLUOHTWAGISGKV-UHFFFAOYSA-N
XLogP3.29
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide (CID 154634920) is N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide is COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5ccccc5)c4F)nn3)cc12.
What is the InChIKey of N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is HLUOHTWAGISGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N7O3S/c1-33-21-14-9-12(10-24-20(14)26-27-21)17-11-30(29-25-17)19-15(22)7-8-16(18(19)23)28-34(31,32)13-5-3-2-4-6-13/h2-11,28H,1H3,(H,24,26,27).
What are the key properties of N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide?
N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 483.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 154634920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).