5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine

C19H24ClF2N3O2 — CID 22248935

IUPAC5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(OC(F)F)cc1Cl
InChIInChI=1S/C19H24ClF2N3O2/c1-5-11(6-2)23-17-18(26-4)25-16(15(7-3)24-17)13-9-8-12(10-14(13)20)27-19(21)22/h8-11,19H,5-7H2,1-4H3,(H,23,24)
InChIKeyVQNHQGVKOHMGHV-UHFFFAOYSA-N
MW399.87 g/mol
LogP5.57
Rot. Bonds9

About 5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine

5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22248935) has the molecular formula C19H24ClF2N3O2 and a molecular weight of 399.87 g/mol. Its IUPAC name is 5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
PubChem CID22248935
Molecular FormulaC19H24ClF2N3O2
Molecular Weight399.87 g/mol
Exact Mass399.15
IUPAC Name5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(OC(F)F)cc1Cl
InChIInChI=1S/C19H24ClF2N3O2/c1-5-11(6-2)23-17-18(26-4)25-16(15(7-3)24-17)13-9-8-12(10-14(13)20)27-19(21)22/h8-11,19H,5-7H2,1-4H3,(H,23,24)
InChIKeyVQNHQGVKOHMGHV-UHFFFAOYSA-N
XLogP5.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.87
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine (CID 22248935) is 5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine is CCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(OC(F)F)cc1Cl.
What is the InChIKey of 5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is VQNHQGVKOHMGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClF2N3O2/c1-5-11(6-2)23-17-18(26-4)25-16(15(7-3)24-17)13-9-8-12(10-14(13)20)27-19(21)22/h8-11,19H,5-7H2,1-4H3,(H,23,24).
What are the key properties of 5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine?
5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 399.87 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-(difluoromethoxy)phenyl]-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22248935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).