2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione

C18H16N4O3 — CID 167524272

IUPAC2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione
SMILESC[C@H](CCN1C(=O)c2ccccc2C1=O)Oc1cc2cn[nH]c2cn1
InChIInChI=1S/C18H16N4O3/c1-11(25-16-8-12-9-20-21-15(12)10-19-16)6-7-22-17(23)13-4-2-3-5-14(13)18(22)24/h2-5,8-11H,6-7H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyKSYMENGPKPUYPN-LLVKDONJSA-N
MW336.35 g/mol
LogP2.41
Rot. Bonds5

About 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione

2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione (PubChem CID 167524272) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione
PubChem CID167524272
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione
SMILESC[C@H](CCN1C(=O)c2ccccc2C1=O)Oc1cc2cn[nH]c2cn1
InChIInChI=1S/C18H16N4O3/c1-11(25-16-8-12-9-20-21-15(12)10-19-16)6-7-22-17(23)13-4-2-3-5-14(13)18(22)24/h2-5,8-11H,6-7H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyKSYMENGPKPUYPN-LLVKDONJSA-N
XLogP2.41
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione with MolForge

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)butan-2-yl methanesulfonate
CID 138695385
2-[(3R)-3-[(6-chloro-1H-indazol-4-yl)oxy]-3-phenylpropyl]isoindole-1,3-dione
CID 169053080
2-[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yloxy)butyl]isoindole-1,3-dione
CID 146387363
2-[(3S)-3-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-4-yloxy)butyl]isoindole-1,3-dione
CID 166807282
2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 821234
2-(3-sulfanyl-3-tritert-butylsilylpropyl)isoindole-1,3-dione
CID 102364254
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione
CID 70929216
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400
2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione
CID 139568940
2-[(3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butyl]isoindole-1,3-dione
CID 99855729
2-[6-(2,6-dibromo-4-nitrophenoxy)heptyl]isoindole-1,3-dione
CID 67496401

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione (CID 167524272) is 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione is C[C@H](CCN1C(=O)c2ccccc2C1=O)Oc1cc2cn[nH]c2cn1.
What is the InChIKey of 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione?
The InChIKey is KSYMENGPKPUYPN-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11(25-16-8-12-9-20-21-15(12)10-19-16)6-7-22-17(23)13-4-2-3-5-14(13)18(22)24/h2-5,8-11H,6-7H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione?
2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione has a molecular weight of 336.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione is sourced from PubChem (CID 167524272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).