7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one

C26H28N4O — CID 126619594

IUPAC7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]c(C2=C[C@H](N3CCN(c4ccc5c(c4)CCC5)CC3)CC2)cc2ncccc12
InChIInChI=1S/C26H28N4O/c31-26-23-5-2-10-27-25(23)17-24(28-26)20-7-9-22(16-20)30-13-11-29(12-14-30)21-8-6-18-3-1-4-19(18)15-21/h2,5-6,8,10,15-17,22H,1,3-4,7,9,11-14H2,(H,28,31)/t22-/m1/s1
InChIKeyNZARKZGYGRMYLC-JOCHJYFZSA-N
MW412.54 g/mol
LogP3.78
Rot. Bonds3

About 7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one

7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one (PubChem CID 126619594) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one
PubChem CID126619594
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]c(C2=C[C@H](N3CCN(c4ccc5c(c4)CCC5)CC3)CC2)cc2ncccc12
InChIInChI=1S/C26H28N4O/c31-26-23-5-2-10-27-25(23)17-24(28-26)20-7-9-22(16-20)30-13-11-29(12-14-30)21-8-6-18-3-1-4-19(18)15-21/h2,5-6,8,10,15-17,22H,1,3-4,7,9,11-14H2,(H,28,31)/t22-/m1/s1
InChIKeyNZARKZGYGRMYLC-JOCHJYFZSA-N
XLogP3.78
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one (CID 126619594) is 7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one is O=c1[nH]c(C2=C[C@H](N3CCN(c4ccc5c(c4)CCC5)CC3)CC2)cc2ncccc12.
What is the InChIKey of 7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one?
The InChIKey is NZARKZGYGRMYLC-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28N4O/c31-26-23-5-2-10-27-25(23)17-24(28-26)20-7-9-22(16-20)30-13-11-29(12-14-30)21-8-6-18-3-1-4-19(18)15-21/h2,5-6,8,10,15-17,22H,1,3-4,7,9,11-14H2,(H,28,31)/t22-/m1/s1.
What are the key properties of 7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one?
7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one has a molecular weight of 412.54 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 126619594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).