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

C20H18Cl2N8O2 — CID 166769801

IUPAC1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cc(Cl)c(-n3nccn3)nc2C)cnc2ccc(Cl)nc12
InChIInChI=1S/C20H18Cl2N8O2/c1-10-14(8-12(21)19(26-10)30-24-6-7-25-30)27-20(31)28-15-9-23-13-4-5-16(22)29-18(13)17(15)11(2)32-3/h4-9,11H,1-3H3,(H2,27,28,31)
InChIKeyTURRNCSGTVHJJX-UHFFFAOYSA-N
MW473.32 g/mol
LogP4.57
Rot. Bonds5

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

1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea (PubChem CID 166769801) has the molecular formula C20H18Cl2N8O2 and a molecular weight of 473.32 g/mol. Its IUPAC name is 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea
PubChem CID166769801
Molecular FormulaC20H18Cl2N8O2
Molecular Weight473.32 g/mol
Exact Mass472.09
IUPAC Name1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cc(Cl)c(-n3nccn3)nc2C)cnc2ccc(Cl)nc12
InChIInChI=1S/C20H18Cl2N8O2/c1-10-14(8-12(21)19(26-10)30-24-6-7-25-30)27-20(31)28-15-9-23-13-4-5-16(22)29-18(13)17(15)11(2)32-3/h4-9,11H,1-3H3,(H2,27,28,31)
InChIKeyTURRNCSGTVHJJX-UHFFFAOYSA-N
XLogP4.57
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea?
The IUPAC name of 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea (CID 166769801) is 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea is COC(C)c1c(NC(=O)Nc2cc(Cl)c(-n3nccn3)nc2C)cnc2ccc(Cl)nc12.
What is the InChIKey of 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea?
The InChIKey is TURRNCSGTVHJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N8O2/c1-10-14(8-12(21)19(26-10)30-24-6-7-25-30)27-20(31)28-15-9-23-13-4-5-16(22)29-18(13)17(15)11(2)32-3/h4-9,11H,1-3H3,(H2,27,28,31).
What are the key properties of 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea?
1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea has a molecular weight of 473.32 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 166769801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).