6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

C23H22N6O — CID 126602483

IUPAC6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncccc5c(=O)[nH]4)CC3)CC2)nc1
InChIInChI=1S/C23H22N6O/c24-14-16-3-6-22(26-15-16)29-10-8-28(9-11-29)18-5-4-17(12-18)20-13-21-19(23(30)27-20)2-1-7-25-21/h1-3,6-7,12-13,15,18H,4-5,8-11H2,(H,27,30)/t18-/m1/s1
InChIKeyOQXRCISZYORQBS-GOSISDBHSA-N
MW398.47 g/mol
LogP2.56
Rot. Bonds3

About 6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 126602483) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID126602483
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncccc5c(=O)[nH]4)CC3)CC2)nc1
InChIInChI=1S/C23H22N6O/c24-14-16-3-6-22(26-15-16)29-10-8-28(9-11-29)18-5-4-17(12-18)20-13-21-19(23(30)27-20)2-1-7-25-21/h1-3,6-7,12-13,15,18H,4-5,8-11H2,(H,27,30)/t18-/m1/s1
InChIKeyOQXRCISZYORQBS-GOSISDBHSA-N
XLogP2.56
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile (CID 126602483) is 6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncccc5c(=O)[nH]4)CC3)CC2)nc1.
What is the InChIKey of 6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is OQXRCISZYORQBS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N6O/c24-14-16-3-6-22(26-15-16)29-10-8-28(9-11-29)18-5-4-17(12-18)20-13-21-19(23(30)27-20)2-1-7-25-21/h1-3,6-7,12-13,15,18H,4-5,8-11H2,(H,27,30)/t18-/m1/s1.
What are the key properties of 6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1R)-3-(5-oxo-6H-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126602483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).