2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole

C25H27BrN4 — CID 143779131

IUPAC2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole
SMILESCCc1c[nH]c2ccccc12.Cc1cc(N)c(Br)cc1Nc1ccnc2c1CCC2
InChIInChI=1S/C15H16BrN3.C10H11N/c1-9-7-12(17)11(16)8-15(9)19-14-5-6-18-13-4-2-3-10(13)14;1-2-8-7-11-10-6-4-3-5-9(8)10/h5-8H,2-4,17H2,1H3,(H,18,19);3-7,11H,2H2,1H3
InChIKeyNUZADFWUEREZFC-UHFFFAOYSA-N
MW463.42 g/mol
LogP6.70
Rot. Bonds3

About 2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole

2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole (PubChem CID 143779131) has the molecular formula C25H27BrN4 and a molecular weight of 463.42 g/mol. Its IUPAC name is 2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole.

Molecular Properties

Compound Name2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole
PubChem CID143779131
Molecular FormulaC25H27BrN4
Molecular Weight463.42 g/mol
Exact Mass462.14
IUPAC Name2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole
SMILESCCc1c[nH]c2ccccc12.Cc1cc(N)c(Br)cc1Nc1ccnc2c1CCC2
InChIInChI=1S/C15H16BrN3.C10H11N/c1-9-7-12(17)11(16)8-15(9)19-14-5-6-18-13-4-2-3-10(13)14;1-2-8-7-11-10-6-4-3-5-9(8)10/h5-8H,2-4,17H2,1H3,(H,18,19);3-7,11H,2H2,1H3
InChIKeyNUZADFWUEREZFC-UHFFFAOYSA-N
XLogP6.70
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.42
LogP ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole
CID 143779143
4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,6-bis(trifluoromethyl)benzene-1,4-diamine;3-ethyl-1H-indole
CID 143779122
2-chloro-1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methyl-4-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 143779151
2-bromo-1-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4-N-(2-methyl-4-pyridinyl)benzene-1,4-diamine
CID 143779104
2,6-dichloro-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 143779119
3-ethyl-1H-indole;methanamine
CID 142222050
2-(1H-indol-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671729
4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 58170570
2-imidazol-1-yl-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 51089952
3-[(4-methyl-2-pyridinyl)methyl]-1H-indole
CID 23967759
3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid
CID 157088032
2-N-(2,5-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896700

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole?
The IUPAC name of 2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole (CID 143779131) is 2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole.
What is the SMILES notation for 2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole?
The canonical SMILES for 2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole is CCc1c[nH]c2ccccc12.Cc1cc(N)c(Br)cc1Nc1ccnc2c1CCC2.
What is the InChIKey of 2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole?
The InChIKey is NUZADFWUEREZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3.C10H11N/c1-9-7-12(17)11(16)8-15(9)19-14-5-6-18-13-4-2-3-10(13)14;1-2-8-7-11-10-6-4-3-5-9(8)10/h5-8H,2-4,17H2,1H3,(H,18,19);3-7,11H,2H2,1H3.
What are the key properties of 2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole?
2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole has a molecular weight of 463.42 g/mol, XLogP of 6.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methylbenzene-1,4-diamine;3-ethyl-1H-indole is sourced from PubChem (CID 143779131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).