ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate

C23H27N5O3 — CID 67311686

IUPACethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate
SMILESCCOC(=O)CNc1ccn(-c2cc(C)nc3c2CCN3c2ccc(OC)cc2C)n1
InChIInChI=1S/C23H27N5O3/c1-5-31-22(29)14-24-21-9-11-28(26-21)20-13-16(3)25-23-18(20)8-10-27(23)19-7-6-17(30-4)12-15(19)2/h6-7,9,11-13H,5,8,10,14H2,1-4H3,(H,24,26)
InChIKeyVOOWDHIOSJNWCF-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.56
Rot. Bonds7

About ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate

ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate (PubChem CID 67311686) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate
PubChem CID67311686
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Nameethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate
SMILESCCOC(=O)CNc1ccn(-c2cc(C)nc3c2CCN3c2ccc(OC)cc2C)n1
InChIInChI=1S/C23H27N5O3/c1-5-31-22(29)14-24-21-9-11-28(26-21)20-13-16(3)25-23-18(20)8-10-27(23)19-7-6-17(30-4)12-15(19)2/h6-7,9,11-13H,5,8,10,14H2,1-4H3,(H,24,26)
InChIKeyVOOWDHIOSJNWCF-UHFFFAOYSA-N
XLogP3.56
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate with MolForge

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Related Compounds

5-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-ium-2-carboxylate
CID 68643585
[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl] methanesulfonate
CID 87669165
ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
CID 79778560
1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
CID 67312128
4-[4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 67311821
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate
CID 139631069
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one
CID 67312116
5-methoxy-2-(3-methylpyrazol-1-yl)benzoic acid
CID 56754647
ethyl 2-(2-cyano-5-methoxyanilino)acetate
CID 81299411
ethyl 1-(4-methoxy-2-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 130194415

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate (CID 67311686) is ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate is CCOC(=O)CNc1ccn(-c2cc(C)nc3c2CCN3c2ccc(OC)cc2C)n1.
What is the InChIKey of ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate?
The InChIKey is VOOWDHIOSJNWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-5-31-22(29)14-24-21-9-11-28(26-21)20-13-16(3)25-23-18(20)8-10-27(23)19-7-6-17(30-4)12-15(19)2/h6-7,9,11-13H,5,8,10,14H2,1-4H3,(H,24,26).
What are the key properties of ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate?
ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate has a molecular weight of 421.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]amino]acetate is sourced from PubChem (CID 67311686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).