[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate

C30H40N4O2 — CID 53373291

IUPAC[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate
SMILESCc1cc(CC(C)(OC(=O)C(N)CC(C)C)c2cccnc2)c2c(c1)c1c(n2C)CCN2CCCC12
InChIInChI=1S/C30H40N4O2/c1-19(2)14-24(31)29(35)36-30(4,22-8-6-11-32-18-22)17-21-15-20(3)16-23-27-25(33(5)28(21)23)10-13-34-12-7-9-26(27)34/h6,8,11,15-16,18-19,24,26H,7,9-10,12-14,17,31H2,1-5H3
InChIKeyRMWYCEZAHPEWOO-UHFFFAOYSA-N
MW488.68 g/mol
LogP4.95
Rot. Bonds7

About [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate

[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate (PubChem CID 53373291) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate.

Molecular Properties

Compound Name[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate
PubChem CID53373291
Molecular FormulaC30H40N4O2
Molecular Weight488.68 g/mol
Exact Mass488.32
IUPAC Name[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate
SMILESCc1cc(CC(C)(OC(=O)C(N)CC(C)C)c2cccnc2)c2c(c1)c1c(n2C)CCN2CCCC12
InChIInChI=1S/C30H40N4O2/c1-19(2)14-24(31)29(35)36-30(4,22-8-6-11-32-18-22)17-21-15-20(3)16-23-27-25(33(5)28(21)23)10-13-34-12-7-9-26(27)34/h6,8,11,15-16,18-19,24,26H,7,9-10,12-14,17,31H2,1-5H3
InChIKeyRMWYCEZAHPEWOO-UHFFFAOYSA-N
XLogP4.95
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-yl] 2,4-dimethylpentanoate
CID 90335812
1-(8-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol
CID 73050893
1-(14-methyl-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
CID 71007637
14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
CID 71007600
[1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-yl] 2-methylpropanoate
CID 71470740
(1S)-2-(8-chloro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
CID 118481782
1-(14-methyl-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
CID 71008096
2-(8-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
CID 73331394
10,14-dimethyl-12-(2-pyrazin-2-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
CID 53371586
3-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propanamide
CID 71007695
1-[14-(fluoromethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]-2-pyridin-3-ylpropan-2-ol
CID 71008135
5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide
CID 71007644

Frequently Asked Questions

What is the IUPAC name of [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate?
The IUPAC name of [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate (CID 53373291) is [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate.
What is the SMILES notation for [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate?
The canonical SMILES for [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate is Cc1cc(CC(C)(OC(=O)C(N)CC(C)C)c2cccnc2)c2c(c1)c1c(n2C)CCN2CCCC12.
What is the InChIKey of [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate?
The InChIKey is RMWYCEZAHPEWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2/c1-19(2)14-24(31)29(35)36-30(4,22-8-6-11-32-18-22)17-21-15-20(3)16-23-27-25(33(5)28(21)23)10-13-34-12-7-9-26(27)34/h6,8,11,15-16,18-19,24,26H,7,9-10,12-14,17,31H2,1-5H3.
What are the key properties of [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate?
[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate has a molecular weight of 488.68 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate is sourced from PubChem (CID 53373291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).