1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride

C20H25BrClN5O2S — CID 68854977

About 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride

1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride (PubChem CID 68854977) has the molecular formula C20H25BrClN5O2S and a molecular weight of 514.88 g/mol. Its IUPAC name is 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride.

Molecular Properties

• Compound Name: 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
• PubChem CID: 68854977
• Molecular Formula: C20H25BrClN5O2S
• Molecular Weight: 514.88 g/mol
• Exact Mass: 513.06
• IUPAC Name: 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
• SMILES: COc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(Br)s4)CC3)c2c1.Cl
• InChI: InChI=1S/C20H24BrN5O2S.ClH/c1-28-15-10-18-17(23-11-15)2-3-19(27)26(18)9-8-25-6-4-14(5-7-25)22-12-16-13-24-20(21)29-16;/h2-3,10-11,13-14,22H,4-9,12H2,1H3;1H
• InChIKey: DXQCAMNNBNGXOQ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.88
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride?

The IUPAC name of 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride (CID 68854977) is 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride.

What is the SMILES notation for 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride?

The canonical SMILES for 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride is COc1cnc2ccc(=O)n(CCN3CCC(NCc4cnc(Br)s4)CC3)c2c1.Cl.

What is the InChIKey of 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride?

The InChIKey is DXQCAMNNBNGXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O2S.ClH/c1-28-15-10-18-17(23-11-15)2-3-19(27)26(18)9-8-25-6-4-14(5-7-25)22-12-16-13-24-20(21)29-16;/h2-3,10-11,13-14,22H,4-9,12H2,1H3;1H.

What are the key properties of 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride?

1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride has a molecular weight of 514.88 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride is sourced from PubChem (CID 68854977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).