[6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine

C26H22Cl2F2N4O2 — CID 146206621

About [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine

[6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine (PubChem CID 146206621) has the molecular formula C26H22Cl2F2N4O2 and a molecular weight of 531.39 g/mol. Its IUPAC name is [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine.

Molecular Properties

• Compound Name: [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine
• PubChem CID: 146206621
• Molecular Formula: C26H22Cl2F2N4O2
• Molecular Weight: 531.39 g/mol
• Exact Mass: 530.11
• IUPAC Name: [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine
• SMILES: COc1nc(-c2ccc(F)c(-c3c(F)ccc(-c4ccc(CN)c(OC)n4)c3Cl)c2Cl)ccc1CN
• InChI: InChI=1S/C26H22Cl2F2N4O2/c1-35-25-13(11-31)3-9-19(33-25)15-5-7-17(29)21(23(15)27)22-18(30)8-6-16(24(22)28)20-10-4-14(12-32)26(34-20)36-2/h3-10H,11-12,31-32H2,1-2H3
• InChIKey: WQKWTQZRQKRURW-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 96.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.39
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine?

The IUPAC name of [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine (CID 146206621) is [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine.

What is the SMILES notation for [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine?

The canonical SMILES for [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine is COc1nc(-c2ccc(F)c(-c3c(F)ccc(-c4ccc(CN)c(OC)n4)c3Cl)c2Cl)ccc1CN.

What is the InChIKey of [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine?

The InChIKey is WQKWTQZRQKRURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2F2N4O2/c1-35-25-13(11-31)3-9-19(33-25)15-5-7-17(29)21(23(15)27)22-18(30)8-6-16(24(22)28)20-10-4-14(12-32)26(34-20)36-2/h3-10H,11-12,31-32H2,1-2H3.

What are the key properties of [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine?

[6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine has a molecular weight of 531.39 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chloro-6-fluorophenyl]-2-chloro-4-fluorophenyl]-2-methoxy-3-pyridinyl]methanamine is sourced from PubChem (CID 146206621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).