2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine

C24H16N4S — CID 67075714

IUPAC2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine
SMILESCc1cccc(-c2n[nH]c3cnc4ccc(-c5cc6cccnc6s5)cc4c23)c1
InChIInChI=1S/C24H16N4S/c1-14-4-2-5-16(10-14)23-22-18-11-15(7-8-19(18)26-13-20(22)27-28-23)21-12-17-6-3-9-25-24(17)29-21/h2-13H,1H3,(H,27,28)
InChIKeyHXEYXLKDAVBZTH-UHFFFAOYSA-N
MW392.49 g/mol
LogP6.36
Rot. Bonds2

About 2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine

2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine (PubChem CID 67075714) has the molecular formula C24H16N4S and a molecular weight of 392.49 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine
PubChem CID67075714
Molecular FormulaC24H16N4S
Molecular Weight392.49 g/mol
Exact Mass392.11
IUPAC Name2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine
SMILESCc1cccc(-c2n[nH]c3cnc4ccc(-c5cc6cccnc6s5)cc4c23)c1
InChIInChI=1S/C24H16N4S/c1-14-4-2-5-16(10-14)23-22-18-11-15(7-8-19(18)26-13-20(22)27-28-23)21-12-17-6-3-9-25-24(17)29-21/h2-13H,1H3,(H,27,28)
InChIKeyHXEYXLKDAVBZTH-UHFFFAOYSA-N
XLogP6.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine?
The IUPAC name of 2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine (CID 67075714) is 2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine.
What is the SMILES notation for 2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine?
The canonical SMILES for 2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine is Cc1cccc(-c2n[nH]c3cnc4ccc(-c5cc6cccnc6s5)cc4c23)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine?
The InChIKey is HXEYXLKDAVBZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4S/c1-14-4-2-5-16(10-14)23-22-18-11-15(7-8-19(18)26-13-20(22)27-28-23)21-12-17-6-3-9-25-24(17)29-21/h2-13H,1H3,(H,27,28).
What are the key properties of 2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine?
2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine has a molecular weight of 392.49 g/mol, XLogP of 6.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl]thieno[2,3-b]pyridine is sourced from PubChem (CID 67075714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).