3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole

C32H34N6 — CID 127029053

IUPAC3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole
SMILESCc1nc(CN2CCN(Cc3cc4c5ccccc5n(C)c4c(C)n3)CC2)cc2c3ccccc3n(C)c12
InChIInChI=1S/C32H34N6/c1-21-31-27(25-9-5-7-11-29(25)35(31)3)17-23(33-21)19-37-13-15-38(16-14-37)20-24-18-28-26-10-6-8-12-30(26)36(4)32(28)22(2)34-24/h5-12,17-18H,13-16,19-20H2,1-4H3
InChIKeyOBGGVDLJDSNXKL-UHFFFAOYSA-N
MW502.67 g/mol
LogP5.70
Rot. Bonds4

About 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole

3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole (PubChem CID 127029053) has the molecular formula C32H34N6 and a molecular weight of 502.67 g/mol. Its IUPAC name is 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole.

Molecular Properties

Compound Name3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole
PubChem CID127029053
Molecular FormulaC32H34N6
Molecular Weight502.67 g/mol
Exact Mass502.28
IUPAC Name3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole
SMILESCc1nc(CN2CCN(Cc3cc4c5ccccc5n(C)c4c(C)n3)CC2)cc2c3ccccc3n(C)c12
InChIInChI=1S/C32H34N6/c1-21-31-27(25-9-5-7-11-29(25)35(31)3)17-23(33-21)19-37-13-15-38(16-14-37)20-24-18-28-26-10-6-8-12-30(26)36(4)32(28)22(2)34-24/h5-12,17-18H,13-16,19-20H2,1-4H3
InChIKeyOBGGVDLJDSNXKL-UHFFFAOYSA-N
XLogP5.70
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.67
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole with MolForge

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Related Compounds

Rimcazole
CID 53389
Mebhydrolin
CID 22530
Ochrolifuanine A
CID 215338
Usambarensine
CID 5281413
Biscryptolepine
CID 10457065
N-Butylcarbazole
CID 73872
2-Methyl-9-[9-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)nonyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223338
2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
Ochrolifuanine E
CID 44559859
(2S,3R,12bS)-3-ethyl-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,7a,12,12a,12b-decahydroindolo[2,3-a]quinolizine
CID 44559929
Dihydrousambarensine
CID 136099744
Usambarine
CID 442121

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole?
The IUPAC name of 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole (CID 127029053) is 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole.
What is the SMILES notation for 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole?
The canonical SMILES for 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole is Cc1nc(CN2CCN(Cc3cc4c5ccccc5n(C)c4c(C)n3)CC2)cc2c3ccccc3n(C)c12.
What is the InChIKey of 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole?
The InChIKey is OBGGVDLJDSNXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6/c1-21-31-27(25-9-5-7-11-29(25)35(31)3)17-23(33-21)19-37-13-15-38(16-14-37)20-24-18-28-26-10-6-8-12-30(26)36(4)32(28)22(2)34-24/h5-12,17-18H,13-16,19-20H2,1-4H3.
What are the key properties of 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole?
3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole has a molecular weight of 502.67 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1,9-dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole is sourced from PubChem (CID 127029053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).