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

C20H15N5 — CID 137280769

IUPAC3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ccncc1-c1cnc2n[nH]c(-c3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C20H15N5/c1-12-6-7-21-11-16(12)14-8-15-19(24-25-20(15)22-10-14)18-9-13-4-2-3-5-17(13)23-18/h2-11,23H,1H3,(H,22,24,25)
InChIKeyVQKYHBKDTIODPK-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.48
Rot. Bonds2

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

3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137280769) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137280769
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ccncc1-c1cnc2n[nH]c(-c3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C20H15N5/c1-12-6-7-21-11-16(12)14-8-15-19(24-25-20(15)22-10-14)18-9-13-4-2-3-5-17(13)23-18/h2-11,23H,1H3,(H,22,24,25)
InChIKeyVQKYHBKDTIODPK-UHFFFAOYSA-N
XLogP4.48
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 137280769) is 3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is Cc1ccncc1-c1cnc2n[nH]c(-c3cc4ccccc4[nH]3)c2c1.
What is the InChIKey of 3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is VQKYHBKDTIODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-12-6-7-21-11-16(12)14-8-15-19(24-25-20(15)22-10-14)18-9-13-4-2-3-5-17(13)23-18/h2-11,23H,1H3,(H,22,24,25).
What are the key properties of 3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 325.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137280769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).