2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine

C24H20N6S — CID 137283181

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)cc45)cc23)s1
InChIInChI=1S/C24H20N6S/c1-13-4-7-22(31-13)16-8-9-25-24-17(16)11-20(27-24)23-18-10-15(5-6-19(18)28-29-23)21-12-26-14(2)30(21)3/h4-12H,1-3H3,(H,25,27)(H,28,29)
InChIKeyBSYIRKJKVMLFHE-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.85
Rot. Bonds3

About 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine

2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 137283181) has the molecular formula C24H20N6S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID137283181
Molecular FormulaC24H20N6S
Molecular Weight424.53 g/mol
Exact Mass424.15
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)cc45)cc23)s1
InChIInChI=1S/C24H20N6S/c1-13-4-7-22(31-13)16-8-9-25-24-17(16)11-20(27-24)23-18-10-15(5-6-19(18)28-29-23)21-12-26-14(2)30(21)3/h4-12H,1-3H3,(H,25,27)(H,28,29)
InChIKeyBSYIRKJKVMLFHE-UHFFFAOYSA-N
XLogP5.85
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 137111808
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
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137087576
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
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137283124
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
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine
CID 137088353
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 137114172
5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole
CID 137115814
N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137111559
3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
CID 137114058

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 137283181) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)cc45)cc23)s1.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BSYIRKJKVMLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6S/c1-13-4-7-22(31-13)16-8-9-25-24-17(16)11-20(27-24)23-18-10-15(5-6-19(18)28-29-23)21-12-26-14(2)30(21)3/h4-12H,1-3H3,(H,25,27)(H,28,29).
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 424.53 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 137283181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).