6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine

C19H16ClF3N4 — CID 59769242

IUPAC6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine
SMILESFc1cc(F)c(-c2c(Cl)nc3nccnc3c2NC2CCCCC2)c(F)c1
InChIInChI=1S/C19H16ClF3N4/c20-18-15(14-12(22)8-10(21)9-13(14)23)16(26-11-4-2-1-3-5-11)17-19(27-18)25-7-6-24-17/h6-9,11H,1-5H2,(H,25,26,27)
InChIKeyXEGBQCMWDLNSKW-UHFFFAOYSA-N
MW392.81 g/mol
LogP5.51
Rot. Bonds3

About 6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine

6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine (PubChem CID 59769242) has the molecular formula C19H16ClF3N4 and a molecular weight of 392.81 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine
PubChem CID59769242
Molecular FormulaC19H16ClF3N4
Molecular Weight392.81 g/mol
Exact Mass392.10
IUPAC Name6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine
SMILESFc1cc(F)c(-c2c(Cl)nc3nccnc3c2NC2CCCCC2)c(F)c1
InChIInChI=1S/C19H16ClF3N4/c20-18-15(14-12(22)8-10(21)9-13(14)23)16(26-11-4-2-1-3-5-11)17-19(27-18)25-7-6-24-17/h6-9,11H,1-5H2,(H,25,26,27)
InChIKeyXEGBQCMWDLNSKW-UHFFFAOYSA-N
XLogP5.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.81
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine (CID 59769242) is 6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine is Fc1cc(F)c(-c2c(Cl)nc3nccnc3c2NC2CCCCC2)c(F)c1.
What is the InChIKey of 6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is XEGBQCMWDLNSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4/c20-18-15(14-12(22)8-10(21)9-13(14)23)16(26-11-4-2-1-3-5-11)17-19(27-18)25-7-6-24-17/h6-9,11H,1-5H2,(H,25,26,27).
What are the key properties of 6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine?
6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 392.81 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 59769242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).