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

C22H17F2N7O3S — CID 154634893

IUPACN-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-methylbenzenesulfonamide
SMILESCOc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(C)c5)c4F)nn3)cc12
InChIInChI=1S/C22H17F2N7O3S/c1-12-4-3-5-14(8-12)35(32,33)29-17-7-6-16(23)20(19(17)24)31-11-18(26-30-31)13-9-15-21(25-10-13)27-28-22(15)34-2/h3-11,29H,1-2H3,(H,25,27,28)
InChIKeyAWNCDMZXFFDAEU-UHFFFAOYSA-N
MW497.49 g/mol
LogP3.60
Rot. Bonds6

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

N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-methylbenzenesulfonamide (PubChem CID 154634893) has the molecular formula C22H17F2N7O3S and a molecular weight of 497.49 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]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-methylbenzenesulfonamide
PubChem CID154634893
Molecular FormulaC22H17F2N7O3S
Molecular Weight497.49 g/mol
Exact Mass497.11
IUPAC NameN-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-methylbenzenesulfonamide
SMILESCOc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(C)c5)c4F)nn3)cc12
InChIInChI=1S/C22H17F2N7O3S/c1-12-4-3-5-14(8-12)35(32,33)29-17-7-6-16(23)20(19(17)24)31-11-18(26-30-31)13-9-15-21(25-10-13)27-28-22(15)34-2/h3-11,29H,1-2H3,(H,25,27,28)
InChIKeyAWNCDMZXFFDAEU-UHFFFAOYSA-N
XLogP3.60
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-methylbenzenesulfonamide (CID 154634893) is N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-methylbenzenesulfonamide.
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]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-methylbenzenesulfonamide is COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(C)c5)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]-3-methylbenzenesulfonamide?
The InChIKey is AWNCDMZXFFDAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O3S/c1-12-4-3-5-14(8-12)35(32,33)29-17-7-6-16(23)20(19(17)24)31-11-18(26-30-31)13-9-15-21(25-10-13)27-28-22(15)34-2/h3-11,29H,1-2H3,(H,25,27,28).
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]-3-methylbenzenesulfonamide?
N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 497.49 g/mol, XLogP of 3.60, 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]-3-methylbenzenesulfonamide is sourced from PubChem (CID 154634893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).