N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine

C23H17N7OS — CID 58015484

IUPACN-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
SMILESCOc1cnc2c(NCc3nnc4ccc(-c5ccc6ncsc6c5)cn34)ccnc2c1
InChIInChI=1S/C23H17N7OS/c1-31-16-9-19-23(26-10-16)18(6-7-24-19)25-11-22-29-28-21-5-3-15(12-30(21)22)14-2-4-17-20(8-14)32-13-27-17/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyMEICBPCQTFVYJM-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.57
Rot. Bonds5

About N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine

N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine (PubChem CID 58015484) has the molecular formula C23H17N7OS and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
PubChem CID58015484
Molecular FormulaC23H17N7OS
Molecular Weight439.50 g/mol
Exact Mass439.12
IUPAC NameN-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
SMILESCOc1cnc2c(NCc3nnc4ccc(-c5ccc6ncsc6c5)cn34)ccnc2c1
InChIInChI=1S/C23H17N7OS/c1-31-16-9-19-23(26-10-16)18(6-7-24-19)25-11-22-29-28-21-5-3-15(12-30(21)22)14-2-4-17-20(8-14)32-13-27-17/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyMEICBPCQTFVYJM-UHFFFAOYSA-N
XLogP4.57
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine with MolForge

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Related Compounds

7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine
CID 45487870
1-[6-(5-Methoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]-3-[2-(1-Propyl-1h-Imidazol-4-Yl)ethyl]urea
CID 73659199
1-[6-(5-Methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-[2-(1-methylimidazol-4-yl)ethyl]urea
CID 118721842
1-[2-(1-Ethylimidazol-4-yl)ethyl]-3-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]urea
CID 118721843
1-[6-(5-Methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-[2-(3-methylimidazol-4-yl)ethyl]urea
CID 118721844
7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine
CID 25065544
7-methoxy-N-[[6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 57690958
N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
CID 57691130
7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 57691156
N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
CID 57691294
7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 57691309

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine?
The IUPAC name of N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine (CID 58015484) is N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine.
What is the SMILES notation for N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine?
The canonical SMILES for N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine is COc1cnc2c(NCc3nnc4ccc(-c5ccc6ncsc6c5)cn34)ccnc2c1.
What is the InChIKey of N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine?
The InChIKey is MEICBPCQTFVYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7OS/c1-31-16-9-19-23(26-10-16)18(6-7-24-19)25-11-22-29-28-21-5-3-15(12-30(21)22)14-2-4-17-20(8-14)32-13-27-17/h2-10,12-13H,11H2,1H3,(H,24,25).
What are the key properties of N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine?
N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine has a molecular weight of 439.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine is sourced from PubChem (CID 58015484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).