N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide

C25H29N5O2S — CID 118755882

IUPACN-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(-n3nc(C)cc3C)c1)C2
InChIInChI=1S/C25H29N5O2S/c1-16-10-17(2)30(28-16)21-7-5-6-19(11-21)25(32)29-9-8-22-20(14-29)12-26-18(3)23(22)13-27-24(31)15-33-4/h5-7,10-12H,8-9,13-15H2,1-4H3,(H,27,31)
InChIKeyWSYVSTBZYRKNIK-UHFFFAOYSA-N
MW463.61 g/mol
LogP3.37
Rot. Bonds6

About N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide

N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide (PubChem CID 118755882) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide
PubChem CID118755882
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC NameN-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(-n3nc(C)cc3C)c1)C2
InChIInChI=1S/C25H29N5O2S/c1-16-10-17(2)30(28-16)21-7-5-6-19(11-21)25(32)29-9-8-22-20(14-29)12-26-18(3)23(22)13-27-24(31)15-33-4/h5-7,10-12H,8-9,13-15H2,1-4H3,(H,27,31)
InChIKeyWSYVSTBZYRKNIK-UHFFFAOYSA-N
XLogP3.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide (CID 118755882) is N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide is CSCC(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(-n3nc(C)cc3C)c1)C2.
What is the InChIKey of N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide?
The InChIKey is WSYVSTBZYRKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-16-10-17(2)30(28-16)21-7-5-6-19(11-21)25(32)29-9-8-22-20(14-29)12-26-18(3)23(22)13-27-24(31)15-33-4/h5-7,10-12H,8-9,13-15H2,1-4H3,(H,27,31).
What are the key properties of N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide?
N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide has a molecular weight of 463.61 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 118755882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).