2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile

C23H20N6O — CID 50996081

IUPAC2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1nc(NCCc3ccccn3)nc3c1CCC3)C(=O)N2
InChIInChI=1S/C23H20N6O/c24-13-14-7-8-19-17(12-14)20(22(30)27-19)21-16-5-3-6-18(16)28-23(29-21)26-11-9-15-4-1-2-10-25-15/h1-2,4,7-8,10,12,20H,3,5-6,9,11H2,(H,27,30)(H,26,28,29)
InChIKeyCGTLZNKRCMODDY-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.97
Rot. Bonds5

About 2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile

2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile (PubChem CID 50996081) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile
PubChem CID50996081
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1nc(NCCc3ccccn3)nc3c1CCC3)C(=O)N2
InChIInChI=1S/C23H20N6O/c24-13-14-7-8-19-17(12-14)20(22(30)27-19)21-16-5-3-6-18(16)28-23(29-21)26-11-9-15-4-1-2-10-25-15/h1-2,4,7-8,10,12,20H,3,5-6,9,11H2,(H,27,30)(H,26,28,29)
InChIKeyCGTLZNKRCMODDY-UHFFFAOYSA-N
XLogP2.97
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile?
The IUPAC name of 2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile (CID 50996081) is 2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile.
What is the SMILES notation for 2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile?
The canonical SMILES for 2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile is N#Cc1ccc2c(c1)C(c1nc(NCCc3ccccn3)nc3c1CCC3)C(=O)N2.
What is the InChIKey of 2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile?
The InChIKey is CGTLZNKRCMODDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c24-13-14-7-8-19-17(12-14)20(22(30)27-19)21-16-5-3-6-18(16)28-23(29-21)26-11-9-15-4-1-2-10-25-15/h1-2,4,7-8,10,12,20H,3,5-6,9,11H2,(H,27,30)(H,26,28,29).
What are the key properties of 2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile?
2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile has a molecular weight of 396.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[2-(2-pyridin-2-ylethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroindole-5-carbonitrile is sourced from PubChem (CID 50996081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).