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1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea

C21H19F3N8O2 — CID 156772624

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCO[C@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2ccc(C)nc12
InChIInChI=1S/C21H19F3N8O2/c1-11-4-5-15-18(29-11)17(12(2)34-3)16(10-25-15)31-20(33)30-13-8-14(21(22,23)24)19(26-9-13)32-27-6-7-28-32/h4-10,12H,1-3H3,(H2,30,31,33)/t12-/m1/s1
InChIKeyXIZGLLSADFNPPE-GFCCVEGCSA-N
MW472.43 g/mol
LogP4.28
Rot. Bonds5

About 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea

1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 156772624) has the molecular formula C21H19F3N8O2 and a molecular weight of 472.43 g/mol. Its IUPAC name is 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID156772624
Molecular FormulaC21H19F3N8O2
Molecular Weight472.43 g/mol
Exact Mass472.16
IUPAC Name1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCO[C@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2ccc(C)nc12
InChIInChI=1S/C21H19F3N8O2/c1-11-4-5-15-18(29-11)17(12(2)34-3)16(10-25-15)31-20(33)30-13-8-14(21(22,23)24)19(26-9-13)32-27-6-7-28-32/h4-10,12H,1-3H3,(H2,30,31,33)/t12-/m1/s1
InChIKeyXIZGLLSADFNPPE-GFCCVEGCSA-N
XLogP4.28
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea (CID 156772624) is 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea is CO[C@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2ccc(C)nc12.
What is the InChIKey of 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is XIZGLLSADFNPPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H19F3N8O2/c1-11-4-5-15-18(29-11)17(12(2)34-3)16(10-25-15)31-20(33)30-13-8-14(21(22,23)24)19(26-9-13)32-27-6-7-28-32/h4-10,12H,1-3H3,(H2,30,31,33)/t12-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 472.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 156772624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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