1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride

C24H29ClFN5O2 — CID 118005655

About 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride

1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride (PubChem CID 118005655) has the molecular formula C24H29ClFN5O2 and a molecular weight of 473.98 g/mol. Its IUPAC name is 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride.

Molecular Properties

• Compound Name: 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride
• PubChem CID: 118005655
• Molecular Formula: C24H29ClFN5O2
• Molecular Weight: 473.98 g/mol
• Exact Mass: 473.20
• IUPAC Name: 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride
• SMILES: CNc1cc2nc(C)c(-c3cc(NC(=O)NCCC4(OC)CC4)c(F)cc3C)cc2cn1.Cl
• InChI: InChI=1S/C24H28FN5O2.ClH/c1-14-9-19(25)21(30-23(31)27-8-7-24(32-4)5-6-24)11-17(14)18-10-16-13-28-22(26-3)12-20(16)29-15(18)2;/h9-13H,5-8H2,1-4H3,(H,26,28)(H2,27,30,31);1H
• InChIKey: JLVUWBZEVHHRPJ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 88.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.98
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride?

The IUPAC name of 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride (CID 118005655) is 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride.

What is the SMILES notation for 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride?

The canonical SMILES for 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride is CNc1cc2nc(C)c(-c3cc(NC(=O)NCCC4(OC)CC4)c(F)cc3C)cc2cn1.Cl.

What is the InChIKey of 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride?

The InChIKey is JLVUWBZEVHHRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2.ClH/c1-14-9-19(25)21(30-23(31)27-8-7-24(32-4)5-6-24)11-17(14)18-10-16-13-28-22(26-3)12-20(16)29-15(18)2;/h9-13H,5-8H2,1-4H3,(H,26,28)(H2,27,30,31);1H.

What are the key properties of 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride?

1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride has a molecular weight of 473.98 g/mol, XLogP of 5.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-[2-(1-methoxycyclopropyl)ethyl]urea;hydrochloride is sourced from PubChem (CID 118005655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).