methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate

C20H17N3O4 — CID 92713944

IUPACmethyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
SMILESCOC(=O)c1ccc(N[C@H]2c3ncccc3C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C20H17N3O4/c1-26-20(25)13-6-8-14(9-7-13)22-18-17-16(5-2-10-21-17)19(24)23(18)12-15-4-3-11-27-15/h2-11,18,22H,12H2,1H3/t18-/m1/s1
InChIKeyAUNFIKZCBQCTJF-GOSISDBHSA-N
MW363.37 g/mol
LogP3.23
Rot. Bonds5

About methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate

methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate (PubChem CID 92713944) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
PubChem CID92713944
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Namemethyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
SMILESCOC(=O)c1ccc(N[C@H]2c3ncccc3C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C20H17N3O4/c1-26-20(25)13-6-8-14(9-7-13)22-18-17-16(5-2-10-21-17)19(24)23(18)12-15-4-3-11-27-15/h2-11,18,22H,12H2,1H3/t18-/m1/s1
InChIKeyAUNFIKZCBQCTJF-GOSISDBHSA-N
XLogP3.23
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate with MolForge

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Related Compounds

7-(3,5-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 3241207
methyl 4-[[(7S)-6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
CID 92713801
(7S)-6-(furan-2-ylmethyl)-7-(4-nitroanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92713939
7-(3-bromoanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582152
7-(5-chloro-2,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582118
(7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92713891
7-(4-acetylanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 126458358
7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582112
(7R)-7-(4-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92666144
methyl 2-[(6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl)amino]benzoate
CID 46359773
7-(3,4-dichloroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582297
(7R)-7-(3-ethylanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714293

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate?
The IUPAC name of methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate (CID 92713944) is methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate is COC(=O)c1ccc(N[C@H]2c3ncccc3C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate?
The InChIKey is AUNFIKZCBQCTJF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-26-20(25)13-6-8-14(9-7-13)22-18-17-16(5-2-10-21-17)19(24)23(18)12-15-4-3-11-27-15/h2-11,18,22H,12H2,1H3/t18-/m1/s1.
What are the key properties of methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate?
methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate has a molecular weight of 363.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate is sourced from PubChem (CID 92713944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).