3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine

C25H17FN6O — CID 137040539

IUPAC3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(F)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6ccncc6)cc45)cc23)c1
InChIInChI=1S/C25H17FN6O/c1-33-18-7-15(6-17(26)9-18)21-12-28-13-23-19(21)10-22(30-23)24-20-8-16(11-29-25(20)32-31-24)14-2-4-27-5-3-14/h2-13,30H,1H3,(H,29,31,32)
InChIKeyMIMSNMQLKZCVHL-UHFFFAOYSA-N
MW436.45 g/mol
LogP5.38
Rot. Bonds4

About 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine

3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137040539) has the molecular formula C25H17FN6O and a molecular weight of 436.45 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID137040539
Molecular FormulaC25H17FN6O
Molecular Weight436.45 g/mol
Exact Mass436.14
IUPAC Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(F)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6ccncc6)cc45)cc23)c1
InChIInChI=1S/C25H17FN6O/c1-33-18-7-15(6-17(26)9-18)21-12-28-13-23-19(21)10-22(30-23)24-20-8-16(11-29-25(20)32-31-24)14-2-4-27-5-3-14/h2-13,30H,1H3,(H,29,31,32)
InChIKeyMIMSNMQLKZCVHL-UHFFFAOYSA-N
XLogP5.38
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040687
5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137039804
2-[3-fluoro-5-[2-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137039833
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137312030
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 137280821
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040349
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137308508
2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137040458
5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137310956
3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137040870
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 138603911
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137040673

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 137040539) is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine is COc1cc(F)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6ccncc6)cc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is MIMSNMQLKZCVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O/c1-33-18-7-15(6-17(26)9-18)21-12-28-13-23-19(21)10-22(30-23)24-20-8-16(11-29-25(20)32-31-24)14-2-4-27-5-3-14/h2-13,30H,1H3,(H,29,31,32).
What are the key properties of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 436.45 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137040539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).