N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide

C26H21FN8O3S — CID 136937383

IUPACN-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
SMILESCOc1cncc(-c2cc3c(-c4nc5nccc(-c6cc(F)cc(CNS(C)(=O)=O)c6)c5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H21FN8O3S/c1-38-18-8-16(11-28-12-18)21-9-20-22(13-30-21)34-35-24(20)26-32-23-19(3-4-29-25(23)33-26)15-5-14(6-17(27)7-15)10-31-39(2,36)37/h3-9,11-13,31H,10H2,1-2H3,(H,34,35)(H,29,32,33)
InChIKeyKMXZVJCQMKNDJT-UHFFFAOYSA-N
MW544.57 g/mol
LogP3.82
Rot. Bonds7

About N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide

N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide (PubChem CID 136937383) has the molecular formula C26H21FN8O3S and a molecular weight of 544.57 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
PubChem CID136937383
Molecular FormulaC26H21FN8O3S
Molecular Weight544.57 g/mol
Exact Mass544.14
IUPAC NameN-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide
SMILESCOc1cncc(-c2cc3c(-c4nc5nccc(-c6cc(F)cc(CNS(C)(=O)=O)c6)c5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H21FN8O3S/c1-38-18-8-16(11-28-12-18)21-9-20-22(13-30-21)34-35-24(20)26-32-23-19(3-4-29-25(23)33-26)15-5-14(6-17(27)7-15)10-31-39(2,36)37/h3-9,11-13,31H,10H2,1-2H3,(H,34,35)(H,29,32,33)
InChIKeyKMXZVJCQMKNDJT-UHFFFAOYSA-N
XLogP3.82
TPSA151.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.57
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide (CID 136937383) is N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide is COc1cncc(-c2cc3c(-c4nc5nccc(-c6cc(F)cc(CNS(C)(=O)=O)c6)c5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is KMXZVJCQMKNDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8O3S/c1-38-18-8-16(11-28-12-18)21-9-20-22(13-30-21)34-35-24(20)26-32-23-19(3-4-29-25(23)33-26)15-5-14(6-17(27)7-15)10-31-39(2,36)37/h3-9,11-13,31H,10H2,1-2H3,(H,34,35)(H,29,32,33).
What are the key properties of N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide?
N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 544.57 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 136937383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).