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

C23H19N7S — CID 138603578

IUPAC5-(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
SMILESCc1ccc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)cc23)s1
InChIInChI=1S/C23H19N7S/c1-12-4-5-21(31-12)14-6-7-24-23-15(14)8-18(27-23)22-16-9-17(26-10-19(16)28-29-22)20-11-25-13(2)30(20)3/h4-11H,1-3H3,(H,24,27)(H,28,29)
InChIKeyGSZZRXQIVLRCRG-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.25
Rot. Bonds3

About 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

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 (PubChem CID 138603578) has the molecular formula C23H19N7S and a molecular weight of 425.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID138603578
Molecular FormulaC23H19N7S
Molecular Weight425.52 g/mol
Exact Mass425.14
IUPAC Name5-(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
SMILESCc1ccc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)cc23)s1
InChIInChI=1S/C23H19N7S/c1-12-4-5-21(31-12)14-6-7-24-23-15(14)8-18(27-23)22-16-9-17(26-10-19(16)28-29-22)20-11-25-13(2)30(20)3/h4-11H,1-3H3,(H,24,27)(H,28,29)
InChIKeyGSZZRXQIVLRCRG-UHFFFAOYSA-N
XLogP5.25
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 137283181
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
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
N,N-dimethyl-1-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 138603568
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 137111808
N,N-dimethyl-2-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
CID 138603421
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 145035738
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137369492
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137311316
1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone
CID 138603156
1-[5-[2-(5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone
CID 138603394

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)cc23)s1.
What is the InChIKey of 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?
The InChIKey is GSZZRXQIVLRCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7S/c1-12-4-5-21(31-12)14-6-7-24-23-15(14)8-18(27-23)22-16-9-17(26-10-19(16)28-29-22)20-11-25-13(2)30(20)3/h4-11H,1-3H3,(H,24,27)(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 425.52 g/mol, XLogP of 5.25, 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-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 138603578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).