5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole

C26H23N5O3S — CID 176887929

IUPAC5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(COc2ncc(Cc3ccnc4cc(-c5cnc(C)s5)cnc34)cc2OC)nc1
InChIInChI=1S/C26H23N5O3S/c1-16-28-14-24(35-16)19-10-22-25(30-12-19)18(6-7-27-22)8-17-9-23(33-3)26(31-11-17)34-15-20-4-5-21(32-2)13-29-20/h4-7,9-14H,8,15H2,1-3H3
InChIKeyAUQZPDMKMHHPQB-UHFFFAOYSA-N
MW485.57 g/mol
LogP5.04
Rot. Bonds8

About 5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole

5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole (PubChem CID 176887929) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is 5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole
PubChem CID176887929
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC Name5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(COc2ncc(Cc3ccnc4cc(-c5cnc(C)s5)cnc34)cc2OC)nc1
InChIInChI=1S/C26H23N5O3S/c1-16-28-14-24(35-16)19-10-22-25(30-12-19)18(6-7-27-22)8-17-9-23(33-3)26(31-11-17)34-15-20-4-5-21(32-2)13-29-20/h4-7,9-14H,8,15H2,1-3H3
InChIKeyAUQZPDMKMHHPQB-UHFFFAOYSA-N
XLogP5.04
TPSA92.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole (CID 176887929) is 5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole is COc1ccc(COc2ncc(Cc3ccnc4cc(-c5cnc(C)s5)cnc34)cc2OC)nc1.
What is the InChIKey of 5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole?
The InChIKey is AUQZPDMKMHHPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-16-28-14-24(35-16)19-10-22-25(30-12-19)18(6-7-27-22)8-17-9-23(33-3)26(31-11-17)34-15-20-4-5-21(32-2)13-29-20/h4-7,9-14H,8,15H2,1-3H3.
What are the key properties of 5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole?
5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole has a molecular weight of 485.57 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[[5-methoxy-6-[(5-methoxy-2-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,5-naphthyridin-3-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 176887929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).