5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole

C27H20N4O — CID 137308412

IUPAC5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole
SMILESCOc1cccc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C27H20N4O/c1-32-19-7-4-6-17(14-19)18-11-12-25-22(15-18)27(31-30-25)26-16-21-20(8-5-10-24(21)29-26)23-9-2-3-13-28-23/h2-16,29H,1H3,(H,30,31)
InChIKeyNNXCLPNTFSRGSQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP6.45
Rot. Bonds4

About 5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole

5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole (PubChem CID 137308412) has the molecular formula C27H20N4O and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole
PubChem CID137308412
Molecular FormulaC27H20N4O
Molecular Weight416.48 g/mol
Exact Mass416.16
IUPAC Name5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole
SMILESCOc1cccc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C27H20N4O/c1-32-19-7-4-6-17(14-19)18-11-12-25-22(15-18)27(31-30-25)26-16-21-20(8-5-10-24(21)29-26)23-9-2-3-13-28-23/h2-16,29H,1H3,(H,30,31)
InChIKeyNNXCLPNTFSRGSQ-UHFFFAOYSA-N
XLogP6.45
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
CID 137310690
1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137115230
2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116367
3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole
CID 135754604
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115131
3-(4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
CID 137087926
5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazole
CID 137115638
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114677
N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137111530
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 137369454
1-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137115541
5-(5-methoxy-3-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
CID 137111841

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole (CID 137308412) is 5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole is COc1cccc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole?
The InChIKey is NNXCLPNTFSRGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O/c1-32-19-7-4-6-17(14-19)18-11-12-25-22(15-18)27(31-30-25)26-16-21-20(8-5-10-24(21)29-26)23-9-2-3-13-28-23/h2-16,29H,1H3,(H,30,31).
What are the key properties of 5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole?
5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole has a molecular weight of 416.48 g/mol, XLogP of 6.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole is sourced from PubChem (CID 137308412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).