5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine

C23H18N8 — CID 137040284

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)n1C
InChIInChI=1S/C23H18N8/c1-13-26-12-21(31(13)2)15-7-17-22(29-30-23(17)27-9-15)19-8-16-18(10-25-11-20(16)28-19)14-3-5-24-6-4-14/h3-12,28H,1-2H3,(H,27,29,30)
InChIKeyJCEMKMVDXGQGJI-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.27
Rot. Bonds3

About 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine

5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137040284) has the molecular formula C23H18N8 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137040284
Molecular FormulaC23H18N8
Molecular Weight406.45 g/mol
Exact Mass406.17
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)n1C
InChIInChI=1S/C23H18N8/c1-13-26-12-21(31(13)2)15-7-17-22(29-30-23(17)27-9-15)19-8-16-18(10-25-11-20(16)28-19)14-3-5-24-6-4-14/h3-12,28H,1-2H3,(H,27,29,30)
InChIKeyJCEMKMVDXGQGJI-UHFFFAOYSA-N
XLogP4.27
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137040284) is 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is Cc1ncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JCEMKMVDXGQGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8/c1-13-26-12-21(31(13)2)15-7-17-22(29-30-23(17)27-9-15)19-8-16-18(10-25-11-20(16)28-19)14-3-5-24-6-4-14/h3-12,28H,1-2H3,(H,27,29,30).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 406.45 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137040284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).