3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol

C35H31N5O — CID 137099467

IUPAC3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol
SMILESCC1(C)C(c2c(-c3cc(O)c4[nH]cc(C5Nc6ccccc6C5(C)C)c4c3)[nH]c3ncccc23)=Nc2ccccc21
InChIInChI=1S/C35H31N5O/c1-34(2)23-11-5-7-13-25(23)38-31(34)22-18-37-30-21(22)16-19(17-27(30)41)29-28(20-10-9-15-36-33(20)40-29)32-35(3,4)24-12-6-8-14-26(24)39-32/h5-18,31,37-38,41H,1-4H3,(H,36,40)
InChIKeyXXKFDYNJKTUTEE-UHFFFAOYSA-N
MW537.67 g/mol
LogP8.27
Rot. Bonds3

About 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol

3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol (PubChem CID 137099467) has the molecular formula C35H31N5O and a molecular weight of 537.67 g/mol. Its IUPAC name is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol.

Molecular Properties

Compound Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol
PubChem CID137099467
Molecular FormulaC35H31N5O
Molecular Weight537.67 g/mol
Exact Mass537.25
IUPAC Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol
SMILESCC1(C)C(c2c(-c3cc(O)c4[nH]cc(C5Nc6ccccc6C5(C)C)c4c3)[nH]c3ncccc23)=Nc2ccccc21
InChIInChI=1S/C35H31N5O/c1-34(2)23-11-5-7-13-25(23)38-31(34)22-18-37-30-21(22)16-19(17-27(30)41)29-28(20-10-9-15-36-33(20)40-29)32-35(3,4)24-12-6-8-14-26(24)39-32/h5-18,31,37-38,41H,1-4H3,(H,36,40)
InChIKeyXXKFDYNJKTUTEE-UHFFFAOYSA-N
XLogP8.27
TPSA89.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 58.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol?
The IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol (CID 137099467) is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol.
What is the SMILES notation for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol?
The canonical SMILES for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol is CC1(C)C(c2c(-c3cc(O)c4[nH]cc(C5Nc6ccccc6C5(C)C)c4c3)[nH]c3ncccc23)=Nc2ccccc21.
What is the InChIKey of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol?
The InChIKey is XXKFDYNJKTUTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N5O/c1-34(2)23-11-5-7-13-25(23)38-31(34)22-18-37-30-21(22)16-19(17-27(30)41)29-28(20-10-9-15-36-33(20)40-29)32-35(3,4)24-12-6-8-14-26(24)39-32/h5-18,31,37-38,41H,1-4H3,(H,36,40).
What are the key properties of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol?
3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol has a molecular weight of 537.67 g/mol, XLogP of 8.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-[3-(3,3-dimethylindol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indol-7-ol is sourced from PubChem (CID 137099467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).