6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid

C28H23Cl2N5O4 — CID 155099162

About 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid

6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid (PubChem CID 155099162) has the molecular formula C28H23Cl2N5O4 and a molecular weight of 564.43 g/mol. Its IUPAC name is 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid
• PubChem CID: 155099162
• Molecular Formula: C28H23Cl2N5O4
• Molecular Weight: 564.43 g/mol
• Exact Mass: 563.11
• IUPAC Name: 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid
• SMILES: COc1cc(C(=O)O)nc2ccc(N3CC4C(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)C4C3)nc12
• InChI: InChI=1S/C28H23Cl2N5O4/c1-38-22-8-21(28(36)37)32-20-6-7-23(33-26(20)22)35-11-16-14(17(16)12-35)4-5-15-25(34-39-27(15)13-2-3-13)24-18(29)9-31-10-19(24)30/h4-10,13-14,16-17H,2-3,11-12H2,1H3,(H,36,37)/b5-4+
• InChIKey: IRTHSLXYTLQGON-SNAWJCMRSA-N
• XLogP: 5.97
• TPSA: 114.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.43
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid?

The IUPAC name of 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid (CID 155099162) is 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid.

What is the SMILES notation for 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid?

The canonical SMILES for 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid is COc1cc(C(=O)O)nc2ccc(N3CC4C(/C=C/c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)C4C3)nc12.

What is the InChIKey of 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid?

The InChIKey is IRTHSLXYTLQGON-SNAWJCMRSA-N. The full InChI is InChI=1S/C28H23Cl2N5O4/c1-38-22-8-21(28(36)37)32-20-6-7-23(33-26(20)22)35-11-16-14(17(16)12-35)4-5-15-25(34-39-27(15)13-2-3-13)24-18(29)9-31-10-19(24)30/h4-10,13-14,16-17H,2-3,11-12H2,1H3,(H,36,37)/b5-4+.

What are the key properties of 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid?

6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid has a molecular weight of 564.43 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxy-1,5-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 155099162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).