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

C23H14FN7 — CID 137039817

IUPAC3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccccc1-c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cnccn5)cc34)cc12
InChIInChI=1S/C23H14FN7/c24-18-4-2-1-3-14(18)17-10-26-12-21-15(17)8-19(29-21)22-16-7-13(9-28-23(16)31-30-22)20-11-25-5-6-27-20/h1-12,29H,(H,28,30,31)
InChIKeyHBTJDFJZODBRRX-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.76
Rot. Bonds3

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

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137039817) has the molecular formula C23H14FN7 and a molecular weight of 407.41 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID137039817
Molecular FormulaC23H14FN7
Molecular Weight407.41 g/mol
Exact Mass407.13
IUPAC Name3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccccc1-c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cnccn5)cc34)cc12
InChIInChI=1S/C23H14FN7/c24-18-4-2-1-3-14(18)17-10-26-12-21-15(17)8-19(29-21)22-16-7-13(9-28-23(16)31-30-22)20-11-25-5-6-27-20/h1-12,29H,(H,28,30,31)
InChIKeyHBTJDFJZODBRRX-UHFFFAOYSA-N
XLogP4.76
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137117143
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
5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137040180
2-cyclopropyl-2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethenone
CID 176530404
5-(5-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145247214
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
1-[3-fluoro-5-[2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N-[methyl(dimethylidene)-λ6-sulfanyl]methanamine
CID 145247092
5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137039999
N-[5-[3-[4-(2-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137040170
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
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040932

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine (CID 137039817) is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine is Fc1ccccc1-c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cnccn5)cc34)cc12.
What is the InChIKey of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is HBTJDFJZODBRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN7/c24-18-4-2-1-3-14(18)17-10-26-12-21-15(17)8-19(29-21)22-16-7-13(9-28-23(16)31-30-22)20-11-25-5-6-27-20/h1-12,29H,(H,28,30,31).
What are the key properties of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine?
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 407.41 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137039817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).