2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione

C17H15N5O2 — CID 139568940

IUPAC2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione
SMILESN[C@@H](Cc1cnc2[nH]ncc2c1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N5O2/c18-12(6-10-5-11-8-20-21-15(11)19-7-10)9-22-16(23)13-3-1-2-4-14(13)17(22)24/h1-5,7-8,12H,6,9,18H2,(H,19,20,21)/t12-/m0/s1
InChIKeyNITIQCAUQHSCRG-LBPRGKRZSA-N
MW321.34 g/mol
LogP1.12
Rot. Bonds4

About 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione

2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione (PubChem CID 139568940) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione
PubChem CID139568940
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione
SMILESN[C@@H](Cc1cnc2[nH]ncc2c1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H15N5O2/c18-12(6-10-5-11-8-20-21-15(11)19-7-10)9-22-16(23)13-3-1-2-4-14(13)17(22)24/h1-5,7-8,12H,6,9,18H2,(H,19,20,21)/t12-/m0/s1
InChIKeyNITIQCAUQHSCRG-LBPRGKRZSA-N
XLogP1.12
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(2S)-2-amino-3-pyridin-4-ylpropyl]isoindole-1,3-dione
CID 69115427
2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione
CID 69164248
2-[(2S)-2-amino-3-(3-fluorophenyl)propyl]-3-methylideneisoindol-1-one
CID 145417908
2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione
CID 118917491
ethane;5-ethyl-1H-pyrazolo[5,4-b]pyridine
CID 176692042
2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride
CID 122584996
2-[(3R)-3-(1H-pyrazolo[3,4-c]pyridin-5-yloxy)butyl]isoindole-1,3-dione
CID 167524272
5-(methoxymethyl)-1H-pyrazolo[5,4-b]pyridine
CID 67031148
2-[(2S)-2-amino-3-cyclohexylpropyl]isoindole-1,3-dione
CID 67066117
2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione
CID 160637692
2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294
2-[2-(methylamino)butyl]isoindole-1,3-dione
CID 55135572

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione (CID 139568940) is 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione is N[C@@H](Cc1cnc2[nH]ncc2c1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione?
The InChIKey is NITIQCAUQHSCRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-12(6-10-5-11-8-20-21-15(11)19-7-10)9-22-16(23)13-3-1-2-4-14(13)17(22)24/h1-5,7-8,12H,6,9,18H2,(H,19,20,21)/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione?
2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione has a molecular weight of 321.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-3-(1H-pyrazolo[5,4-b]pyridin-5-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 139568940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).