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

C18H22ClF2N3O2 — CID 23595014

IUPAC5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(OC(F)F)cc2Cl)nc1OC
InChIInChI=1S/C18H22ClF2N3O2/c1-5-11(6-2)23-16-17(25-4)24-15(10(3)22-16)13-8-7-12(9-14(13)19)26-18(20)21/h7-9,11,18H,5-6H2,1-4H3,(H,22,23)
InChIKeyZSZUGKYWBNLPED-UHFFFAOYSA-N
MW385.84 g/mol
LogP5.32
Rot. Bonds8

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

5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 23595014) has the molecular formula C18H22ClF2N3O2 and a molecular weight of 385.84 g/mol. Its IUPAC name is 5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID23595014
Molecular FormulaC18H22ClF2N3O2
Molecular Weight385.84 g/mol
Exact Mass385.14
IUPAC Name5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(OC(F)F)cc2Cl)nc1OC
InChIInChI=1S/C18H22ClF2N3O2/c1-5-11(6-2)23-16-17(25-4)24-15(10(3)22-16)13-8-7-12(9-14(13)19)26-18(20)21/h7-9,11,18H,5-6H2,1-4H3,(H,22,23)
InChIKeyZSZUGKYWBNLPED-UHFFFAOYSA-N
XLogP5.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.84
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 23595014) is 5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2ccc(OC(F)F)cc2Cl)nc1OC.
What is the InChIKey of 5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is ZSZUGKYWBNLPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF2N3O2/c1-5-11(6-2)23-16-17(25-4)24-15(10(3)22-16)13-8-7-12(9-14(13)19)26-18(20)21/h7-9,11,18H,5-6H2,1-4H3,(H,22,23).
What are the key properties of 5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
5-[2-chloro-4-(difluoromethoxy)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 385.84 g/mol, XLogP of 5.32, 8 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]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 23595014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).