6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole

C30H25N3O — CID 58159652

IUPAC6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole
SMILESCCc1cc(C2C=C(c3ccc4cc[nH]c4c3)c3ccc(-c4ccc(OC)cc4)cc32)ncn1
InChIInChI=1S/C30H25N3O/c1-3-23-16-30(33-18-32-23)28-17-26(22-5-4-20-12-13-31-29(20)15-22)25-11-8-21(14-27(25)28)19-6-9-24(34-2)10-7-19/h4-18,28,31H,3H2,1-2H3
InChIKeyMDGXKSNNDFCGRC-UHFFFAOYSA-N
MW443.55 g/mol
LogP6.77
Rot. Bonds5

About 6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole

6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole (PubChem CID 58159652) has the molecular formula C30H25N3O and a molecular weight of 443.55 g/mol. Its IUPAC name is 6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole.

Molecular Properties

Compound Name6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole
PubChem CID58159652
Molecular FormulaC30H25N3O
Molecular Weight443.55 g/mol
Exact Mass443.20
IUPAC Name6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole
SMILESCCc1cc(C2C=C(c3ccc4cc[nH]c4c3)c3ccc(-c4ccc(OC)cc4)cc32)ncn1
InChIInChI=1S/C30H25N3O/c1-3-23-16-30(33-18-32-23)28-17-26(22-5-4-20-12-13-31-29(20)15-22)25-11-8-21(14-27(25)28)19-6-9-24(34-2)10-7-19/h4-18,28,31H,3H2,1-2H3
InChIKeyMDGXKSNNDFCGRC-UHFFFAOYSA-N
XLogP6.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Retelliptine
CID 68913
N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 16733534
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
2,3-Pyridinediamine, N3-[[5-(1H-indol-6-yl)-2-(phenylmethoxy)phenyl]methyl]-
CID 11517373
Limk-IN-2
CID 162361997
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673

Frequently Asked Questions

What is the IUPAC name of 6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole?
The IUPAC name of 6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole (CID 58159652) is 6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole.
What is the SMILES notation for 6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole?
The canonical SMILES for 6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole is CCc1cc(C2C=C(c3ccc4cc[nH]c4c3)c3ccc(-c4ccc(OC)cc4)cc32)ncn1.
What is the InChIKey of 6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole?
The InChIKey is MDGXKSNNDFCGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O/c1-3-23-16-30(33-18-32-23)28-17-26(22-5-4-20-12-13-31-29(20)15-22)25-11-8-21(14-27(25)28)19-6-9-24(34-2)10-7-19/h4-18,28,31H,3H2,1-2H3.
What are the key properties of 6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole?
6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole has a molecular weight of 443.55 g/mol, XLogP of 6.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6-ethylpyrimidin-4-yl)-5-(4-methoxyphenyl)-3H-inden-1-yl]-1H-indole is sourced from PubChem (CID 58159652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).