1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea

C18H14Cl2F3N5O — CID 156772625

IUPAC1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea
SMILESCC(C)c1c(NC(=O)Nc2cc(C(F)(F)F)ncc2Cl)cnc2ccc(Cl)nc12
InChIInChI=1S/C18H14Cl2F3N5O/c1-8(2)15-12(7-24-10-3-4-14(20)28-16(10)15)27-17(29)26-11-5-13(18(21,22)23)25-6-9(11)19/h3-8H,1-2H3,(H2,25,26,27,29)
InChIKeyXEOSATQEEFZRIN-UHFFFAOYSA-N
MW444.24 g/mol
LogP6.12
Rot. Bonds3

About 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea

1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea (PubChem CID 156772625) has the molecular formula C18H14Cl2F3N5O and a molecular weight of 444.24 g/mol. Its IUPAC name is 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea.

Molecular Properties

Compound Name1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea
PubChem CID156772625
Molecular FormulaC18H14Cl2F3N5O
Molecular Weight444.24 g/mol
Exact Mass443.05
IUPAC Name1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea
SMILESCC(C)c1c(NC(=O)Nc2cc(C(F)(F)F)ncc2Cl)cnc2ccc(Cl)nc12
InChIInChI=1S/C18H14Cl2F3N5O/c1-8(2)15-12(7-24-10-3-4-14(20)28-16(10)15)27-17(29)26-11-5-13(18(21,22)23)25-6-9(11)19/h3-8H,1-2H3,(H2,25,26,27,29)
InChIKeyXEOSATQEEFZRIN-UHFFFAOYSA-N
XLogP6.12
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.24
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 156772632
1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 156772596
1-[6-chloro-4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772644
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
1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea
CID 166769830
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772560
methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097692
1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772694
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]urea
CID 156772717
1-[6-chloro-4-[(1S)-1-methoxyethyl]pyrrolo[1,2-b]pyridazin-3-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 156887027
1-[3-chloro-4-(triazol-2-yl)phenyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 134209029
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772508

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea?
The IUPAC name of 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea (CID 156772625) is 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea.
What is the SMILES notation for 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea?
The canonical SMILES for 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea is CC(C)c1c(NC(=O)Nc2cc(C(F)(F)F)ncc2Cl)cnc2ccc(Cl)nc12.
What is the InChIKey of 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea?
The InChIKey is XEOSATQEEFZRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N5O/c1-8(2)15-12(7-24-10-3-4-14(20)28-16(10)15)27-17(29)26-11-5-13(18(21,22)23)25-6-9(11)19/h3-8H,1-2H3,(H2,25,26,27,29).
What are the key properties of 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea?
1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea has a molecular weight of 444.24 g/mol, XLogP of 6.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea is sourced from PubChem (CID 156772625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).