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

C18H13F2N9O3S — CID 154634899

IUPACN-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-1H-imidazole-5-sulfonamide
SMILESCOc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cnc[nH]5)c4F)nn3)cc12
InChIInChI=1S/C18H13F2N9O3S/c1-32-18-10-4-9(5-22-17(10)25-26-18)13-7-29(28-24-13)16-11(19)2-3-12(15(16)20)27-33(30,31)14-6-21-8-23-14/h2-8,27H,1H3,(H,21,23)(H,22,25,26)
InChIKeyMKQCQLPSAVVILI-UHFFFAOYSA-N
MW473.43 g/mol
LogP2.02
Rot. Bonds6

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

N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-1H-imidazole-5-sulfonamide (PubChem CID 154634899) has the molecular formula C18H13F2N9O3S and a molecular weight of 473.43 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]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-1H-imidazole-5-sulfonamide
PubChem CID154634899
Molecular FormulaC18H13F2N9O3S
Molecular Weight473.43 g/mol
Exact Mass473.08
IUPAC NameN-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-1H-imidazole-5-sulfonamide
SMILESCOc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cnc[nH]5)c4F)nn3)cc12
InChIInChI=1S/C18H13F2N9O3S/c1-32-18-10-4-9(5-22-17(10)25-26-18)13-7-29(28-24-13)16-11(19)2-3-12(15(16)20)27-33(30,31)14-6-21-8-23-14/h2-8,27H,1H3,(H,21,23)(H,22,25,26)
InChIKeyMKQCQLPSAVVILI-UHFFFAOYSA-N
XLogP2.02
TPSA156.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2,4-difluoro-3-[4-[3-(2-methoxyethoxy)-1H-pyrazolo[5,4-b]pyridin-5-yl]triazol-1-yl]phenyl]-3-phenylbenzenesulfonamide
CID 172835377
3-chloro-N-[2,4-difluoro-3-[5-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1H-imidazol-2-yl]phenyl]benzenesulfonamide
CID 154634897
N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58227721
N-(2-hydroxy-4-methoxyphenyl)-1H-imidazole-5-sulfonamide
CID 102695858
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
N-(2-cyano-4-fluorophenyl)-1H-imidazole-5-sulfonamide
CID 82015244
N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide
CID 77021280
N-(3-amino-6-fluoro-2-methylphenyl)-1H-imidazole-5-sulfonamide
CID 114244719
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167250860
N-[2-fluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58227803
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251058

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]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-1H-imidazole-5-sulfonamide (CID 154634899) is N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-1H-imidazole-5-sulfonamide.
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]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-1H-imidazole-5-sulfonamide is COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cnc[nH]5)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]-1H-imidazole-5-sulfonamide?
The InChIKey is MKQCQLPSAVVILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N9O3S/c1-32-18-10-4-9(5-22-17(10)25-26-18)13-7-29(28-24-13)16-11(19)2-3-12(15(16)20)27-33(30,31)14-6-21-8-23-14/h2-8,27H,1H3,(H,21,23)(H,22,25,26).
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]-1H-imidazole-5-sulfonamide?
N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 473.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 9 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]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 154634899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).