(7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C20H19N3O2 — CID 92713891

IUPAC(7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(C)c(N[C@@H]2c3ncccc3C(=O)N2Cc2ccco2)c1
InChIInChI=1S/C20H19N3O2/c1-13-7-8-14(2)17(11-13)22-19-18-16(6-3-9-21-18)20(24)23(19)12-15-5-4-10-25-15/h3-11,19,22H,12H2,1-2H3/t19-/m0/s1
InChIKeyUMMYCQPEAZAQDP-IBGZPJMESA-N
MW333.39 g/mol
LogP4.06
Rot. Bonds4

About (7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

(7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 92713891) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID92713891
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(C)c(N[C@@H]2c3ncccc3C(=O)N2Cc2ccco2)c1
InChIInChI=1S/C20H19N3O2/c1-13-7-8-14(2)17(11-13)22-19-18-16(6-3-9-21-18)20(24)23(19)12-15-5-4-10-25-15/h3-11,19,22H,12H2,1-2H3/t19-/m0/s1
InChIKeyUMMYCQPEAZAQDP-IBGZPJMESA-N
XLogP4.06
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,4-dichloroanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582112
7-(5-chloro-2,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582118
7-(3,5-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 3241207
7-(3-bromoanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582152
3-(2,4-dimethylanilino)-2-(furan-2-ylmethyl)-3H-isoindol-1-one
CID 20854778
methyl 4-[[(7R)-6-(furan-2-ylmethyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate
CID 92713944
(7S)-6-(furan-2-ylmethyl)-7-(4-nitroanilino)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92713939
7-(2-chloro-4-methylanilino)-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582066
(7S)-7-(5-chloro-2-methylanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714473
(7R)-7-(5-chloro-2-methylanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714472
(7R)-7-(2,3-dimethylanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92666198
7-(4-chloro-2-methylanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 22582201

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 92713891) is (7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1ccc(C)c(N[C@@H]2c3ncccc3C(=O)N2Cc2ccco2)c1.
What is the InChIKey of (7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is UMMYCQPEAZAQDP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-7-8-14(2)17(11-13)22-19-18-16(6-3-9-21-18)20(24)23(19)12-15-5-4-10-25-15/h3-11,19,22H,12H2,1-2H3/t19-/m0/s1.
What are the key properties of (7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
(7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 333.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 92713891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).