N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide

C25H17Cl2FN4O — CID 146325929

About N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 146325929) has the molecular formula C25H17Cl2FN4O and a molecular weight of 479.34 g/mol. Its IUPAC name is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 146325929
• Molecular Formula: C25H17Cl2FN4O
• Molecular Weight: 479.34 g/mol
• Exact Mass: 478.08
• IUPAC Name: N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide
• SMILES: O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2cc3cc(Cl)ccc3cn2)c1
• InChI: InChI=1S/C25H17Cl2FN4O/c26-18-2-1-15-11-30-20(7-16(15)5-18)9-19-6-14(3-4-29-19)25(33)32-12-17-8-21-22(27)13-31-24(21)10-23(17)28/h1-8,10-11,13,31H,9,12H2,(H,32,33)
• InChIKey: FAUBAWGVIQGUCL-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.34
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide?

The IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide (CID 146325929) is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide?

The canonical SMILES for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide is O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1ccnc(Cc2cc3cc(Cl)ccc3cn2)c1.

What is the InChIKey of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide?

The InChIKey is FAUBAWGVIQGUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2FN4O/c26-18-2-1-15-11-30-20(7-16(15)5-18)9-19-6-14(3-4-29-19)25(33)32-12-17-8-21-22(27)13-31-24(21)10-23(17)28/h1-8,10-11,13,31H,9,12H2,(H,32,33).

What are the key properties of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide?

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 479.34 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 146325929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).