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

C22H17N7S — CID 137489220

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)ccnc5[nH]4)c3n2)n1C
InChIInChI=1S/C22H17N7S/c1-12-24-11-18(29(12)2)15-5-6-16-20(25-15)21(28-27-16)17-10-14-13(19-4-3-9-30-19)7-8-23-22(14)26-17/h3-11H,1-2H3,(H,23,26)(H,27,28)
InChIKeyUBGMHCFVNYEAOZ-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.94
Rot. Bonds3

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

5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137489220) has the molecular formula C22H17N7S and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID137489220
Molecular FormulaC22H17N7S
Molecular Weight411.49 g/mol
Exact Mass411.13
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)ccnc5[nH]4)c3n2)n1C
InChIInChI=1S/C22H17N7S/c1-12-24-11-18(29(12)2)15-5-6-16-20(25-15)21(28-27-16)17-10-14-13(19-4-3-9-30-19)7-8-23-22(14)26-17/h3-11H,1-2H3,(H,23,26)(H,27,28)
InChIKeyUBGMHCFVNYEAOZ-UHFFFAOYSA-N
XLogP4.94
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033106
5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137488759
N,N-dimethyl-5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137488900
5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 138603578
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 137283181
1-[6-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137489349
2-(dimethylamino)-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137033221
5-(2,3-dimethylimidazol-4-yl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137112372
2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 137112329
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 137111808
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137112402
5-pyridin-4-yl-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038198

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137489220) is 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)ccnc5[nH]4)c3n2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is UBGMHCFVNYEAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7S/c1-12-24-11-18(29(12)2)15-5-6-16-20(25-15)21(28-27-16)17-10-14-13(19-4-3-9-30-19)7-8-23-22(14)26-17/h3-11H,1-2H3,(H,23,26)(H,27,28).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine?
5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 411.49 g/mol, XLogP of 4.94, 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-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137489220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).