2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone

C30H33ClFN5O2 — CID 123704141

About 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone

2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone (PubChem CID 123704141) has the molecular formula C30H33ClFN5O2 and a molecular weight of 550.08 g/mol. Its IUPAC name is 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone
• PubChem CID: 123704141
• Molecular Formula: C30H33ClFN5O2
• Molecular Weight: 550.08 g/mol
• Exact Mass: 549.23
• IUPAC Name: 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone
• SMILES: O=C(Cc1ccc(OCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc1F)N1CCc2ccncc2C1
• InChI: InChI=1S/C30H33ClFN5O2/c31-25-17-34-30(35-18-25)36-9-5-21(6-10-36)27-13-22(27)7-12-39-26-2-1-23(28(32)15-26)14-29(38)37-11-4-20-3-8-33-16-24(20)19-37/h1-3,8,15-18,21-22,27H,4-7,9-14,19H2
• InChIKey: AJFQVFYTGPUPJU-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 71.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.08
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone?

The IUPAC name of 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone (CID 123704141) is 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone.

What is the SMILES notation for 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone?

The canonical SMILES for 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone is O=C(Cc1ccc(OCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc1F)N1CCc2ccncc2C1.

What is the InChIKey of 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone?

The InChIKey is AJFQVFYTGPUPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClFN5O2/c31-25-17-34-30(35-18-25)36-9-5-21(6-10-36)27-13-22(27)7-12-39-26-2-1-23(28(32)15-26)14-29(38)37-11-4-20-3-8-33-16-24(20)19-37/h1-3,8,15-18,21-22,27H,4-7,9-14,19H2.

What are the key properties of 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone?

2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone has a molecular weight of 550.08 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone is sourced from PubChem (CID 123704141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).