8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

C24H24N6O2S — CID 146466051

IUPAC8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESC[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)CN1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C24H24N6O2S/c1-15-12-30(20-9-22(31)28(3)19-7-6-17(10-25)26-23(19)20)16(2)11-29(15)13-18-14-32-24(27-18)21-5-4-8-33-21/h4-9,14-16H,11-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyRNYPZTRJAVNXBI-CVEARBPZSA-N
MW460.56 g/mol
LogP3.62
Rot. Bonds4

About 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 146466051) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID146466051
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC Name8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESC[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)CN1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C24H24N6O2S/c1-15-12-30(20-9-22(31)28(3)19-7-6-17(10-25)26-23(19)20)16(2)11-29(15)13-18-14-32-24(27-18)21-5-4-8-33-21/h4-9,14-16H,11-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyRNYPZTRJAVNXBI-CVEARBPZSA-N
XLogP3.62
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 146466051) is 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is C[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)CN1Cc1coc(-c2cccs2)n1.
What is the InChIKey of 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is RNYPZTRJAVNXBI-CVEARBPZSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-15-12-30(20-9-22(31)28(3)19-7-6-17(10-25)26-23(19)20)16(2)11-29(15)13-18-14-32-24(27-18)21-5-4-8-33-21/h4-9,14-16H,11-13H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 460.56 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S,5R)-2,5-dimethyl-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 146466051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).