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

C23H18N6O — CID 137088353

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine
SMILESCc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)n1C
InChIInChI=1S/C23H18N6O/c1-13-25-11-21(29(13)2)14-3-4-19-16(9-14)23(28-27-19)20-10-17-18(26-20)5-7-24-22(17)15-6-8-30-12-15/h3-12,26H,1-2H3,(H,27,28)
InChIKeyRSMGHRQLNBSVEE-UHFFFAOYSA-N
MW394.44 g/mol
LogP5.08
Rot. Bonds3

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

2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 137088353) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine
PubChem CID137088353
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine
SMILESCc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)n1C
InChIInChI=1S/C23H18N6O/c1-13-25-11-21(29(13)2)14-3-4-19-16(9-14)23(28-27-19)20-10-17-18(26-20)5-7-24-22(17)15-6-8-30-12-15/h3-12,26H,1-2H3,(H,27,28)
InChIKeyRSMGHRQLNBSVEE-UHFFFAOYSA-N
XLogP5.08
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 137114172
3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol
CID 137114058
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137114237
5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole
CID 137115814
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 137111808
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 137283181
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137111021
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 137110825
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137087576
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 137283151
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137369492
N-[[3-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenyl]methyl]methanesulfonamide
CID 137310724

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine (CID 137088353) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine is Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)n1C.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is RSMGHRQLNBSVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-13-25-11-21(29(13)2)14-3-4-19-16(9-14)23(28-27-19)20-10-17-18(26-20)5-7-24-22(17)15-6-8-30-12-15/h3-12,26H,1-2H3,(H,27,28).
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 394.44 g/mol, XLogP of 5.08, 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-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 137088353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).