5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide

C25H30N4O4 — CID 125430795

IUPAC5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCCN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n(C)c2cc1OC
InChIInChI=1S/C25H30N4O4/c1-27-20-12-23(33-3)22(32-2)11-17(20)10-21(27)25(31)26-7-8-28-13-16-9-18(15-28)19-5-4-6-24(30)29(19)14-16/h4-6,10-12,16,18H,7-9,13-15H2,1-3H3,(H,26,31)/t16-,18+/m1/s1
InChIKeyCWWQVOXRAXRVGC-AEFFLSMTSA-N
MW450.54 g/mol
LogP2.21
Rot. Bonds6

About 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide

5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide (PubChem CID 125430795) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide
PubChem CID125430795
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCCN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n(C)c2cc1OC
InChIInChI=1S/C25H30N4O4/c1-27-20-12-23(33-3)22(32-2)11-17(20)10-21(27)25(31)26-7-8-28-13-16-9-18(15-28)19-5-4-6-24(30)29(19)14-16/h4-6,10-12,16,18H,7-9,13-15H2,1-3H3,(H,26,31)/t16-,18+/m1/s1
InChIKeyCWWQVOXRAXRVGC-AEFFLSMTSA-N
XLogP2.21
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide with MolForge

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Related Compounds

(1R,9S)-11-(1-methylindole-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 99999404
5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 163011485
(1R,9S)-11-[(2,4-dimethoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 872939
11-[(4-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 2857346
(1S)-11-[2-hydroxy-3-(2-methoxyanilino)propyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 131664856
(1R,9S)-11-[(2R)-2-hydroxy-3-(2-methoxyanilino)propyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 6351729
11-[2-hydroxy-3-(2-methoxyanilino)propyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 3818132
3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]propanamide
CID 125430864
(9R)-11-[[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-hydroxy-1-methyl-4-oxo-2-pyridinyl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 131664727
(1R,9S)-11-[(5-bromo-2,4-dimethoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride
CID 52993533
(1S,9R)-11-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 1353885
(9R)-11-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 44657793

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide (CID 125430795) is 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide is COc1cc2cc(C(=O)NCCN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n(C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide?
The InChIKey is CWWQVOXRAXRVGC-AEFFLSMTSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-27-20-12-23(33-3)22(32-2)11-17(20)10-21(27)25(31)26-7-8-28-13-16-9-18(15-28)19-5-4-6-24(30)29(19)14-16/h4-6,10-12,16,18H,7-9,13-15H2,1-3H3,(H,26,31)/t16-,18+/m1/s1.
What are the key properties of 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide?
5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide is sourced from PubChem (CID 125430795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).