3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

C24H16FN5OS — CID 137280864

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C24H16FN5OS/c1-31-15-7-13(10-26-12-15)14-8-18-23(29-30-24(18)27-11-14)20-9-17-16(3-2-4-19(17)28-20)21-5-6-22(25)32-21/h2-12,28H,1H3,(H,27,29,30)
InChIKeyZKANHPHFKVWSAL-UHFFFAOYSA-N
MW441.49 g/mol
LogP6.04
Rot. Bonds4

About 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137280864) has the molecular formula C24H16FN5OS and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137280864
Molecular FormulaC24H16FN5OS
Molecular Weight441.49 g/mol
Exact Mass441.11
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C24H16FN5OS/c1-31-15-7-13(10-26-12-15)14-8-18-23(29-30-24(18)27-11-14)20-9-17-16(3-2-4-19(17)28-20)21-5-6-22(25)32-21/h2-12,28H,1H3,(H,27,29,30)
InChIKeyZKANHPHFKVWSAL-UHFFFAOYSA-N
XLogP6.04
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 137280864) is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is COc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is ZKANHPHFKVWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5OS/c1-31-15-7-13(10-26-12-15)14-8-18-23(29-30-24(18)27-11-14)20-9-17-16(3-2-4-19(17)28-20)21-5-6-22(25)32-21/h2-12,28H,1H3,(H,27,29,30).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 441.49 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137280864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).