7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine

C27H26ClF3N4O — CID 11318268

About 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine

7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine (PubChem CID 11318268) has the molecular formula C27H26ClF3N4O and a molecular weight of 514.98 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine.

Molecular Properties

• Compound Name: 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine
• PubChem CID: 11318268
• Molecular Formula: C27H26ClF3N4O
• Molecular Weight: 514.98 g/mol
• Exact Mass: 514.17
• IUPAC Name: 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine
• SMILES: CC(C)COCc1cc(Nc2ccc(C(C)C(F)(F)F)cc2)c2cnc(-c3ncccc3Cl)cc2n1
• InChI: InChI=1S/C27H26ClF3N4O/c1-16(2)14-36-15-20-11-23(34-19-8-6-18(7-9-19)17(3)27(29,30)31)21-13-33-25(12-24(21)35-20)26-22(28)5-4-10-32-26/h4-13,16-17H,14-15H2,1-3H3,(H,34,35)
• InChIKey: XUMPTDIRLAOUJC-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 59.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.98
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine?

The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine (CID 11318268) is 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine.

What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine?

The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine is CC(C)COCc1cc(Nc2ccc(C(C)C(F)(F)F)cc2)c2cnc(-c3ncccc3Cl)cc2n1.

What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine?

The InChIKey is XUMPTDIRLAOUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF3N4O/c1-16(2)14-36-15-20-11-23(34-19-8-6-18(7-9-19)17(3)27(29,30)31)21-13-33-25(12-24(21)35-20)26-22(28)5-4-10-32-26/h4-13,16-17H,14-15H2,1-3H3,(H,34,35).

What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine?

7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine has a molecular weight of 514.98 g/mol, XLogP of 7.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]-1,6-naphthyridin-4-amine is sourced from PubChem (CID 11318268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).