3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane

C38H43N5O — CID 144941107

IUPAC3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane
SMILESCC.CC1(C)c2ccccc2NC1c1c[nH]c2ncccc12.COc1ccc2[nH]cc(C3Nc4ccccc4C3(C)C)c2c1
InChIInChI=1S/C19H20N2O.C17H17N3.C2H6/c1-19(2)15-6-4-5-7-17(15)21-18(19)14-11-20-16-9-8-12(22-3)10-13(14)16;1-17(2)13-7-3-4-8-14(13)20-15(17)12-10-19-16-11(12)6-5-9-18-16;1-2/h4-11,18,20-21H,1-3H3;3-10,15,20H,1-2H3,(H,18,19);1-2H3
InChIKeyWJVMXGJYIMQIFQ-UHFFFAOYSA-N
MW585.80 g/mol
LogP9.65
Rot. Bonds3

About 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane

3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane (PubChem CID 144941107) has the molecular formula C38H43N5O and a molecular weight of 585.80 g/mol. Its IUPAC name is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane.

Molecular Properties

Compound Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane
PubChem CID144941107
Molecular FormulaC38H43N5O
Molecular Weight585.80 g/mol
Exact Mass585.35
IUPAC Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane
SMILESCC.CC1(C)c2ccccc2NC1c1c[nH]c2ncccc12.COc1ccc2[nH]cc(C3Nc4ccccc4C3(C)C)c2c1
InChIInChI=1S/C19H20N2O.C17H17N3.C2H6/c1-19(2)15-6-4-5-7-17(15)21-18(19)14-11-20-16-9-8-12(22-3)10-13(14)16;1-17(2)13-7-3-4-8-14(13)20-15(17)12-10-19-16-11(12)6-5-9-18-16;1-2/h4-11,18,20-21H,1-3H3;3-10,15,20H,1-2H3,(H,18,19);1-2H3
InChIKeyWJVMXGJYIMQIFQ-UHFFFAOYSA-N
XLogP9.65
TPSA77.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.80
LogP ≤ 59.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane with MolForge

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Related Compounds

Retelliptine
CID 68913
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
N'-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]-N'-methyl-propane-1,3-diamine
CID 393666
6H-Pyrido(4,3-b)carbazole, 1-((3-(N-aminopropyl)-N-ethylamino)propyl)amino-9-methoxy-5-methyl-
CID 135595
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
CID 3233232
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168280914
1-N,1-N-diethyl-4-N-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)pentane-1,4-diamine
CID 149522
6H-Pyrido(4,3-b)carbazol-1-amine, N-(3-(1H-imidazol-1-yl)propyl)-9-methoxy-5-methyl-
CID 153594
N',N'-diethyl-N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)propane-1,3-diamine
CID 183282
N'-(8-Methoxy-4,5-dimethyl-5H-pyrido(4,3-b) indol-1-yl)-N,N-dimethylpropanediamine
CID 183287
N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
CID 197233

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane?
The IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane (CID 144941107) is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane.
What is the SMILES notation for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane?
The canonical SMILES for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane is CC.CC1(C)c2ccccc2NC1c1c[nH]c2ncccc12.COc1ccc2[nH]cc(C3Nc4ccccc4C3(C)C)c2c1.
What is the InChIKey of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane?
The InChIKey is WJVMXGJYIMQIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.C17H17N3.C2H6/c1-19(2)15-6-4-5-7-17(15)21-18(19)14-11-20-16-9-8-12(22-3)10-13(14)16;1-17(2)13-7-3-4-8-14(13)20-15(17)12-10-19-16-11(12)6-5-9-18-16;1-2/h4-11,18,20-21H,1-3H3;3-10,15,20H,1-2H3,(H,18,19);1-2H3.
What are the key properties of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane?
3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane has a molecular weight of 585.80 g/mol, XLogP of 9.65, 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-methoxy-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethane is sourced from PubChem (CID 144941107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).