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

C18H15ClF3N5O — CID 156772632

IUPAC1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea
SMILESCC(C)c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnc2ccc(Cl)nc12
InChIInChI=1S/C18H15ClF3N5O/c1-9(2)15-12(8-24-11-3-4-14(19)27-16(11)15)26-17(28)25-10-5-6-23-13(7-10)18(20,21)22/h3-9H,1-2H3,(H2,23,25,26,28)
InChIKeyZKCJDAPOOKDEPY-UHFFFAOYSA-N
MW409.80 g/mol
LogP5.46
Rot. Bonds3

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

1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea (PubChem CID 156772632) has the molecular formula C18H15ClF3N5O and a molecular weight of 409.80 g/mol. Its IUPAC name is 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea.

Molecular Properties

Compound Name1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea
PubChem CID156772632
Molecular FormulaC18H15ClF3N5O
Molecular Weight409.80 g/mol
Exact Mass409.09
IUPAC Name1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea
SMILESCC(C)c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnc2ccc(Cl)nc12
InChIInChI=1S/C18H15ClF3N5O/c1-9(2)15-12(8-24-11-3-4-14(19)27-16(11)15)26-17(28)25-10-5-6-23-13(7-10)18(20,21)22/h3-9H,1-2H3,(H2,23,25,26,28)
InChIKeyZKCJDAPOOKDEPY-UHFFFAOYSA-N
XLogP5.46
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.80
LogP ≤ 55.46
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-[2-(trifluoromethyl)-4-pyridinyl]urea with MolForge

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Related Compounds

1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]urea
CID 156772625
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-[(1S)-1-methoxyethyl]pyrrolo[1,2-b]pyridazin-3-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 156887027
1-[8-(1-methoxyethyl)imidazo[1,2-b]pyridazin-7-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 155456687
1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-cyano-6-(difluoromethoxy)-3-pyridinyl]urea
CID 166769830
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
N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
CID 114270139
1-[2-chloro-7-[methoxy(oxan-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 118540155
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772560
(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
CID 122049884
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

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea?
The IUPAC name of 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea (CID 156772632) is 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea.
What is the SMILES notation for 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea?
The canonical SMILES for 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea is CC(C)c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnc2ccc(Cl)nc12.
What is the InChIKey of 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea?
The InChIKey is ZKCJDAPOOKDEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N5O/c1-9(2)15-12(8-24-11-3-4-14(19)27-16(11)15)26-17(28)25-10-5-6-23-13(7-10)18(20,21)22/h3-9H,1-2H3,(H2,23,25,26,28).
What are the key properties of 1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea?
1-(6-chloro-4-propan-2-yl-1,5-naphthyridin-3-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea has a molecular weight of 409.80 g/mol, XLogP of 5.46, 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-[2-(trifluoromethyl)-4-pyridinyl]urea is sourced from PubChem (CID 156772632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).