ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate

C18H21N3O3 — CID 146040396

IUPACethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)N2Cc3cnc(C)cc3C2)c1C
InChIInChI=1S/C18H21N3O3/c1-5-24-18(23)15-11(3)16(20-12(15)4)17(22)21-8-13-6-10(2)19-7-14(13)9-21/h6-7,20H,5,8-9H2,1-4H3
InChIKeyAORJADSNUJFCMH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.67
Rot. Bonds3

About ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate

ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate (PubChem CID 146040396) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate
PubChem CID146040396
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Nameethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)N2Cc3cnc(C)cc3C2)c1C
InChIInChI=1S/C18H21N3O3/c1-5-24-18(23)15-11(3)16(20-12(15)4)17(22)21-8-13-6-10(2)19-7-14(13)9-21/h6-7,20H,5,8-9H2,1-4H3
InChIKeyAORJADSNUJFCMH-UHFFFAOYSA-N
XLogP2.67
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 6-[4-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38784073
ethyl 5-[3-(dimethylamino)azetidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 71905912
ethyl 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 56742395
ethyl 2,4-dimethyl-5-(2-methylmorpholine-4-carbonyl)-1H-pyrrole-3-carboxylate
CID 51293161
ethyl 2,4-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 50787414
2-O-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278418
ethyl 2,4-dimethyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyrrole-3-carboxylate
CID 55661138
ethyl 2,4-dimethyl-5-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 43038546
ethyl 5-[4-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 92871378
ethyl 2,4-dimethyl-5-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 41440497
ethyl 2,4-dimethyl-5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 46330357
ethyl 5-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 50787451

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate (CID 146040396) is ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)N2Cc3cnc(C)cc3C2)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate?
The InChIKey is AORJADSNUJFCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-5-24-18(23)15-11(3)16(20-12(15)4)17(22)21-8-13-6-10(2)19-7-14(13)9-21/h6-7,20H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate?
ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 146040396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).