2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine

C17H15ClF3N3O — CID 156711318

IUPAC2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine
SMILESCOc1cc(F)c(F)c2c1cc(C)n2CCNc1ccnc(Cl)c1F
InChIInChI=1S/C17H15ClF3N3O/c1-9-7-10-13(25-2)8-11(19)14(20)16(10)24(9)6-5-22-12-3-4-23-17(18)15(12)21/h3-4,7-8H,5-6H2,1-2H3,(H,22,23)
InChIKeyRJZANCSTQKWJHG-UHFFFAOYSA-N
MW369.77 g/mol
LogP4.54
Rot. Bonds5

About 2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine

2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine (PubChem CID 156711318) has the molecular formula C17H15ClF3N3O and a molecular weight of 369.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine
PubChem CID156711318
Molecular FormulaC17H15ClF3N3O
Molecular Weight369.77 g/mol
Exact Mass369.09
IUPAC Name2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine
SMILESCOc1cc(F)c(F)c2c1cc(C)n2CCNc1ccnc(Cl)c1F
InChIInChI=1S/C17H15ClF3N3O/c1-9-7-10-13(25-2)8-11(19)14(20)16(10)24(9)6-5-22-12-3-4-23-17(18)15(12)21/h3-4,7-8H,5-6H2,1-2H3,(H,22,23)
InChIKeyRJZANCSTQKWJHG-UHFFFAOYSA-N
XLogP4.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 54.54
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 2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine?
The IUPAC name of 2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine (CID 156711318) is 2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine is COc1cc(F)c(F)c2c1cc(C)n2CCNc1ccnc(Cl)c1F.
What is the InChIKey of 2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine?
The InChIKey is RJZANCSTQKWJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O/c1-9-7-10-13(25-2)8-11(19)14(20)16(10)24(9)6-5-22-12-3-4-23-17(18)15(12)21/h3-4,7-8H,5-6H2,1-2H3,(H,22,23).
What are the key properties of 2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine?
2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine has a molecular weight of 369.77 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine is sourced from PubChem (CID 156711318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).