tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine

C62H65N9O2 — CID 161278427

IUPACtris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine
SMILESC=C1NCc2nc(C)ccc21.Cc1ccc2c(n1)CC(=O)C2.Cc1ccc2c(n1)CC(=O)N2.Cc1ccc2c(n1)CC=C2.Cc1ccc2c(n1)CC=C2.Cc1ccc2c(n1)CC=C2.Cc1ccc2c(n1)CCC2
InChIInChI=1S/C9H10N2.C9H9NO.C9H11N.3C9H9N.C8H8N2O/c1-6-3-4-8-7(2)10-5-9(8)11-6;1-6-2-3-7-4-8(11)5-9(7)10-6;4*1-7-5-6-8-3-2-4-9(8)10-7;1-5-2-3-6-7(9-5)4-8(11)10-6/h3-4,10H,2,5H2,1H3;2-3H,4-5H2,1H3;5-6H,2-4H2,1H3;3*2-3,5-6H,4H2,1H3;2-3H,4H2,1H3,(H,10,11)
InChIKeyVETCSLQBKHTEQY-UHFFFAOYSA-N
MW968.26 g/mol
LogP11.16
Rot. Bonds

About tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine

tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 161278427) has the molecular formula C62H65N9O2 and a molecular weight of 968.26 g/mol. Its IUPAC name is tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Nametris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID161278427
Molecular FormulaC62H65N9O2
Molecular Weight968.26 g/mol
Exact Mass967.53
IUPAC Nametris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine
SMILESC=C1NCc2nc(C)ccc21.Cc1ccc2c(n1)CC(=O)C2.Cc1ccc2c(n1)CC(=O)N2.Cc1ccc2c(n1)CC=C2.Cc1ccc2c(n1)CC=C2.Cc1ccc2c(n1)CC=C2.Cc1ccc2c(n1)CCC2
InChIInChI=1S/C9H10N2.C9H9NO.C9H11N.3C9H9N.C8H8N2O/c1-6-3-4-8-7(2)10-5-9(8)11-6;1-6-2-3-7-4-8(11)5-9(7)10-6;4*1-7-5-6-8-3-2-4-9(8)10-7;1-5-2-3-6-7(9-5)4-8(11)10-6/h3-4,10H,2,5H2,1H3;2-3H,4-5H2,1H3;5-6H,2-4H2,1H3;3*2-3,5-6H,4H2,1H3;2-3H,4H2,1H3,(H,10,11)
InChIKeyVETCSLQBKHTEQY-UHFFFAOYSA-N
XLogP11.16
TPSA148.43 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.26
LogP ≤ 511.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

6-methyl-2-methylidene-1,4-dihydro-1,5-naphthyridin-3-one
CID 157152247
2-methyl-7,8-dihydro-5H-1,7-naphthyridin-6-one
CID 130250553
ethane;N-methylmethanamine;2-methyl-5,6,7,8-tetrahydroquinoline
CID 165400143
2-methyl-7,8-dihydro-1,7-naphthyridine
CID 166866433
methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate
CID 74890491
2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde
CID 143612175
1,2,4,6,7,8-hexahydrocyclopenta[g]quinoxalin-3-one
CID 84661496
2-(6-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline
CID 59083944
ethane;7-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 143189329
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911491
7-methyl-4,5-dihydro-2H-pyrazolo[3,4-f][1,7]naphthyridine-3-carboxylic acid
CID 96600771
5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937

Frequently Asked Questions

What is the IUPAC name of tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine (CID 161278427) is tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine is C=C1NCc2nc(C)ccc21.Cc1ccc2c(n1)CC(=O)C2.Cc1ccc2c(n1)CC(=O)N2.Cc1ccc2c(n1)CC=C2.Cc1ccc2c(n1)CC=C2.Cc1ccc2c(n1)CC=C2.Cc1ccc2c(n1)CCC2.
What is the InChIKey of tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is VETCSLQBKHTEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C9H9NO.C9H11N.3C9H9N.C8H8N2O/c1-6-3-4-8-7(2)10-5-9(8)11-6;1-6-2-3-7-4-8(11)5-9(7)10-6;4*1-7-5-6-8-3-2-4-9(8)10-7;1-5-2-3-6-7(9-5)4-8(11)10-6/h3-4,10H,2,5H2,1H3;2-3H,4-5H2,1H3;5-6H,2-4H2,1H3;3*2-3,5-6H,4H2,1H3;2-3H,4H2,1H3,(H,10,11).
What are the key properties of tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine?
tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 968.26 g/mol, XLogP of 11.16, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methyl-7H-cyclopenta[b]pyridine);2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one;5-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;2-methyl-5-methylidene-6,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 161278427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).