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

C25H16FN5 — CID 137114677

IUPAC3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)nc45)cc23)c1
InChIInChI=1S/C25H16FN5/c26-16-6-3-5-15(13-16)17-7-4-9-19-18(17)14-23(28-19)25-24-22(30-31-25)11-10-21(29-24)20-8-1-2-12-27-20/h1-14,28H,(H,30,31)
InChIKeyDVHJVNDQFXHFNL-UHFFFAOYSA-N
MW405.44 g/mol
LogP5.97
Rot. Bonds3

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

3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137114677) has the molecular formula C25H16FN5 and a molecular weight of 405.44 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137114677
Molecular FormulaC25H16FN5
Molecular Weight405.44 g/mol
Exact Mass405.14
IUPAC Name3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)nc45)cc23)c1
InChIInChI=1S/C25H16FN5/c26-16-6-3-5-15(13-16)17-7-4-9-19-18(17)14-23(28-19)25-24-22(30-31-25)11-10-21(29-24)20-8-1-2-12-27-20/h1-14,28H,(H,30,31)
InChIKeyDVHJVNDQFXHFNL-UHFFFAOYSA-N
XLogP5.97
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.44
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine (CID 137114677) is 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine is Fc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)nc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is DVHJVNDQFXHFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN5/c26-16-6-3-5-15(13-16)17-7-4-9-19-18(17)14-23(28-19)25-24-22(30-31-25)11-10-21(29-24)20-8-1-2-12-27-20/h1-14,28H,(H,30,31).
What are the key properties of 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 405.44 g/mol, XLogP of 5.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137114677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).