2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione

C24H19N5O2 — CID 164844333

IUPAC2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione
SMILESCc1cc2c(N3C(=O)c4ccccc4C3=O)n[nH]c2nc1Nc1cccc2c1CCC2
InChIInChI=1S/C24H19N5O2/c1-13-12-18-21(26-20(13)25-19-11-5-7-14-6-4-10-15(14)19)27-28-22(18)29-23(30)16-8-2-3-9-17(16)24(29)31/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H2,25,26,27,28)
InChIKeyCIMWPRCGHYYIHT-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.30
Rot. Bonds3

About 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione

2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione (PubChem CID 164844333) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione
PubChem CID164844333
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione
SMILESCc1cc2c(N3C(=O)c4ccccc4C3=O)n[nH]c2nc1Nc1cccc2c1CCC2
InChIInChI=1S/C24H19N5O2/c1-13-12-18-21(26-20(13)25-19-11-5-7-14-6-4-10-15(14)19)27-28-22(18)29-23(30)16-8-2-3-9-17(16)24(29)31/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H2,25,26,27,28)
InChIKeyCIMWPRCGHYYIHT-UHFFFAOYSA-N
XLogP4.30
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione (CID 164844333) is 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione is Cc1cc2c(N3C(=O)c4ccccc4C3=O)n[nH]c2nc1Nc1cccc2c1CCC2.
What is the InChIKey of 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione?
The InChIKey is CIMWPRCGHYYIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-13-12-18-21(26-20(13)25-19-11-5-7-14-6-4-10-15(14)19)27-28-22(18)29-23(30)16-8-2-3-9-17(16)24(29)31/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H2,25,26,27,28).
What are the key properties of 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione?
2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione has a molecular weight of 409.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 164844333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).