N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine

C23H19ClF2N4 — CID 11711556

IUPACN-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine
SMILESCCC(C)Nc1c(-c2c(F)cc(-c3ccccc3)cc2F)c(Cl)nc2nccnc12
InChIInChI=1S/C23H19ClF2N4/c1-3-13(2)29-20-19(22(24)30-23-21(20)27-9-10-28-23)18-16(25)11-15(12-17(18)26)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,28,29,30)
InChIKeyUNTBWRBJPHXFKF-UHFFFAOYSA-N
MW424.88 g/mol
LogP6.50
Rot. Bonds5

About N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine

N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine (PubChem CID 11711556) has the molecular formula C23H19ClF2N4 and a molecular weight of 424.88 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine
PubChem CID11711556
Molecular FormulaC23H19ClF2N4
Molecular Weight424.88 g/mol
Exact Mass424.13
IUPAC NameN-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine
SMILESCCC(C)Nc1c(-c2c(F)cc(-c3ccccc3)cc2F)c(Cl)nc2nccnc12
InChIInChI=1S/C23H19ClF2N4/c1-3-13(2)29-20-19(22(24)30-23-21(20)27-9-10-28-23)18-16(25)11-15(12-17(18)26)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,28,29,30)
InChIKeyUNTBWRBJPHXFKF-UHFFFAOYSA-N
XLogP6.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.88
LogP ≤ 56.50
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 N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine (CID 11711556) is N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine is CCC(C)Nc1c(-c2c(F)cc(-c3ccccc3)cc2F)c(Cl)nc2nccnc12.
What is the InChIKey of N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is UNTBWRBJPHXFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4/c1-3-13(2)29-20-19(22(24)30-23-21(20)27-9-10-28-23)18-16(25)11-15(12-17(18)26)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,28,29,30).
What are the key properties of N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine?
N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 424.88 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-7-(2,6-difluoro-4-phenylphenyl)pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 11711556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).