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

C22H21F3N8O2 — CID 156772589

IUPAC1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[2-methyl-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCO[C@H](C)c1c(NC(=O)Nc2cc(C(F)(F)F)c(-n3nccn3)nc2C)cnc2ccc(C)nc12
InChIInChI=1S/C22H21F3N8O2/c1-11-5-6-15-19(29-11)18(13(3)35-4)17(10-26-15)32-21(34)31-16-9-14(22(23,24)25)20(30-12(16)2)33-27-7-8-28-33/h5-10,13H,1-4H3,(H2,31,32,34)/t13-/m1/s1
InChIKeyZJOJQIBCYZECHE-CYBMUJFWSA-N
MW486.46 g/mol
LogP4.59
Rot. Bonds5

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

1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[2-methyl-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 156772589) has the molecular formula C22H21F3N8O2 and a molecular weight of 486.46 g/mol. Its IUPAC name is 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[2-methyl-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-[2-methyl-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID156772589
Molecular FormulaC22H21F3N8O2
Molecular Weight486.46 g/mol
Exact Mass486.17
IUPAC Name1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[2-methyl-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCO[C@H](C)c1c(NC(=O)Nc2cc(C(F)(F)F)c(-n3nccn3)nc2C)cnc2ccc(C)nc12
InChIInChI=1S/C22H21F3N8O2/c1-11-5-6-15-19(29-11)18(13(3)35-4)17(10-26-15)32-21(34)31-16-9-14(22(23,24)25)20(30-12(16)2)33-27-7-8-28-33/h5-10,13H,1-4H3,(H2,31,32,34)/t13-/m1/s1
InChIKeyZJOJQIBCYZECHE-CYBMUJFWSA-N
XLogP4.59
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 54.59
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-[2-methyl-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-[2-methyl-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea (CID 156772589) is 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[2-methyl-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-[2-methyl-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-[2-methyl-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea is CO[C@H](C)c1c(NC(=O)Nc2cc(C(F)(F)F)c(-n3nccn3)nc2C)cnc2ccc(C)nc12.
What is the InChIKey of 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[2-methyl-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is ZJOJQIBCYZECHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H21F3N8O2/c1-11-5-6-15-19(29-11)18(13(3)35-4)17(10-26-15)32-21(34)31-16-9-14(22(23,24)25)20(30-12(16)2)33-27-7-8-28-33/h5-10,13H,1-4H3,(H2,31,32,34)/t13-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[2-methyl-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
1-[4-[(1R)-1-methoxyethyl]-6-methyl-1,5-naphthyridin-3-yl]-3-[2-methyl-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 486.46 g/mol, XLogP of 4.59, 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-[2-methyl-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 156772589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).