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

C22H17N7O — CID 137038385

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)n1C
InChIInChI=1S/C22H17N7O/c1-12-24-10-19(29(12)2)14-7-17-20(27-28-22(17)25-9-14)18-8-16-15(13-4-6-30-11-13)3-5-23-21(16)26-18/h3-11H,1-2H3,(H,23,26)(H,25,27,28)
InChIKeySFNDZGFLZQRTGD-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.47
Rot. Bonds3

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

5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137038385) has the molecular formula C22H17N7O and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID137038385
Molecular FormulaC22H17N7O
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)n1C
InChIInChI=1S/C22H17N7O/c1-12-24-10-19(29(12)2)14-7-17-20(27-28-22(17)25-9-14)18-8-16-15(13-4-6-30-11-13)3-5-23-21(16)26-18/h3-11H,1-2H3,(H,23,26)(H,25,27,28)
InChIKeySFNDZGFLZQRTGD-UHFFFAOYSA-N
XLogP4.47
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 137038385) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine is Cc1ncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is SFNDZGFLZQRTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c1-12-24-10-19(29(12)2)14-7-17-20(27-28-22(17)25-9-14)18-8-16-15(13-4-6-30-11-13)3-5-23-21(16)26-18/h3-11H,1-2H3,(H,23,26)(H,25,27,28).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-(2,3-dimethylimidazol-4-yl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 395.43 g/mol, XLogP of 4.47, 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-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137038385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).