1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile

C26H30N8O — CID 118343260

IUPAC1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile
SMILESCOc1cc(-c2nncn2C)ccc1NN1C=Cc2cc(C)nc(N3CC(C)(C#N)C3(C)C)c2C1
InChIInChI=1S/C26H30N8O/c1-17-11-18-9-10-33(13-20(18)24(29-17)34-15-26(4,14-27)25(34,2)3)31-21-8-7-19(12-22(21)35-6)23-30-28-16-32(23)5/h7-12,16,31H,13,15H2,1-6H3
InChIKeyXRFBWPZHOZFQCD-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.14
Rot. Bonds5

About 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile

1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile (PubChem CID 118343260) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile
PubChem CID118343260
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile
SMILESCOc1cc(-c2nncn2C)ccc1NN1C=Cc2cc(C)nc(N3CC(C)(C#N)C3(C)C)c2C1
InChIInChI=1S/C26H30N8O/c1-17-11-18-9-10-33(13-20(18)24(29-17)34-15-26(4,14-27)25(34,2)3)31-21-8-7-19(12-22(21)35-6)23-30-28-16-32(23)5/h7-12,16,31H,13,15H2,1-6H3
InChIKeyXRFBWPZHOZFQCD-UHFFFAOYSA-N
XLogP4.14
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile?
The IUPAC name of 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile (CID 118343260) is 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile.
What is the SMILES notation for 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile?
The canonical SMILES for 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile is COc1cc(-c2nncn2C)ccc1NN1C=Cc2cc(C)nc(N3CC(C)(C#N)C3(C)C)c2C1.
What is the InChIKey of 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile?
The InChIKey is XRFBWPZHOZFQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-17-11-18-9-10-33(13-20(18)24(29-17)34-15-26(4,14-27)25(34,2)3)31-21-8-7-19(12-22(21)35-6)23-30-28-16-32(23)5/h7-12,16,31H,13,15H2,1-6H3.
What are the key properties of 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile?
1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile has a molecular weight of 470.58 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)anilino]-3-methyl-8H-2,7-naphthyridin-1-yl]-2,2,3-trimethylazetidine-3-carbonitrile is sourced from PubChem (CID 118343260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).