6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C29H30N4O4 — CID 70166347

IUPAC6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(N2Cc3ccc(C(C)N4Cc5cnc(N)cc5C4=O)cc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C29H30N4O4/c1-17(32-16-20-14-31-27(30)13-24(20)28(32)34)18-7-8-19-15-33(29(35)23(19)11-18)21-9-10-25(36-2)26(12-21)37-22-5-3-4-6-22/h7-14,17,22H,3-6,15-16H2,1-2H3,(H2,30,31)
InChIKeyZFUMWBITXQQDSF-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.87
Rot. Bonds6

About 6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one

6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 70166347) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID70166347
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(N2Cc3ccc(C(C)N4Cc5cnc(N)cc5C4=O)cc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C29H30N4O4/c1-17(32-16-20-14-31-27(30)13-24(20)28(32)34)18-7-8-19-15-33(29(35)23(19)11-18)21-9-10-25(36-2)26(12-21)37-22-5-3-4-6-22/h7-14,17,22H,3-6,15-16H2,1-2H3,(H2,30,31)
InChIKeyZFUMWBITXQQDSF-UHFFFAOYSA-N
XLogP4.87
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57006155
6-amino-2-[3-(3-hydroxycyclopentyl)oxy-4-methoxyphenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57300767
6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57148496
6-amino-2-(3,4-dimethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 67669552
6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 67669438
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-5-carbonyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 142665297
2-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]amino]acetic acid;2-[[2-(3,4-dimethoxyphenyl)-3-oxo-1H-isoindol-5-yl]amino]acetic acid
CID 67671485
2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 142665259
ethyl 2-[3-(cyclopentylmethoxy)-4-methoxyphenyl]-3-oxo-1H-isoindole-5-carboxylate
CID 173319566
6-fluoro-2-[[2-[4-methoxy-3-(4-phenylbutan-2-yloxy)phenyl]-3-oxo-1H-isoindol-5-yl]methyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 70167174
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-hydroxy-3-methylpyrrolo[3,4-c]pyridin-1-one
CID 54352938
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 67670844

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 70166347) is 6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one is COc1ccc(N2Cc3ccc(C(C)N4Cc5cnc(N)cc5C4=O)cc3C2=O)cc1OC1CCCC1.
What is the InChIKey of 6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is ZFUMWBITXQQDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-17(32-16-20-14-31-27(30)13-24(20)28(32)34)18-7-8-19-15-33(29(35)23(19)11-18)21-9-10-25(36-2)26(12-21)37-22-5-3-4-6-22/h7-14,17,22H,3-6,15-16H2,1-2H3,(H2,30,31).
What are the key properties of 6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 498.58 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[1-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindol-5-yl]ethyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 70166347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).