3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine

C24H20N6 — CID 137041341

IUPAC3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESC1=C(c2cnc3n[nH]c(-c4cc5c(-c6ccccn6)cccc5[nH]4)c3c2)CCNC1
InChIInChI=1S/C24H20N6/c1-2-9-26-20(5-1)17-4-3-6-21-18(17)13-22(28-21)23-19-12-16(14-27-24(19)30-29-23)15-7-10-25-11-8-15/h1-7,9,12-14,25,28H,8,10-11H2,(H,27,29,30)
InChIKeyXGDOFOTXYBPWAM-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.54
Rot. Bonds3

About 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine

3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137041341) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137041341
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESC1=C(c2cnc3n[nH]c(-c4cc5c(-c6ccccn6)cccc5[nH]4)c3c2)CCNC1
InChIInChI=1S/C24H20N6/c1-2-9-26-20(5-1)17-4-3-6-21-18(17)13-22(28-21)23-19-12-16(14-27-24(19)30-29-23)15-7-10-25-11-8-15/h1-7,9,12-14,25,28H,8,10-11H2,(H,27,29,30)
InChIKeyXGDOFOTXYBPWAM-UHFFFAOYSA-N
XLogP4.54
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041218
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145368
5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145299
3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945567
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137281467
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
1-[5-[2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137145270
3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145038274
N,N-dimethyl-3-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]aniline
CID 137103066
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137116576
5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137040412
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137041237

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137041341) is 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine is C1=C(c2cnc3n[nH]c(-c4cc5c(-c6ccccn6)cccc5[nH]4)c3c2)CCNC1.
What is the InChIKey of 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is XGDOFOTXYBPWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-2-9-26-20(5-1)17-4-3-6-21-18(17)13-22(28-21)23-19-12-16(14-27-24(19)30-29-23)15-7-10-25-11-8-15/h1-7,9,12-14,25,28H,8,10-11H2,(H,27,29,30).
What are the key properties of 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 392.47 g/mol, XLogP of 4.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137041341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).