[2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine

C36H24Cl2N8O4 — CID 161256979

About [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine

[2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 161256979) has the molecular formula C36H24Cl2N8O4 and a molecular weight of 703.55 g/mol. Its IUPAC name is [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

• Compound Name: [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
• PubChem CID: 161256979
• Molecular Formula: C36H24Cl2N8O4
• Molecular Weight: 703.55 g/mol
• Exact Mass: 702.13
• IUPAC Name: [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
• SMILES: Cc1cccc(C(=O)c2ccc(Nc3noc4cccnc34)cc2Cl)c1.Clc1cc(Nc2noc3cccnc23)ccc1Oc1cnccn1
• InChI: InChI=1S/C20H14ClN3O2.C16H10ClN5O2/c1-12-4-2-5-13(10-12)19(25)15-8-7-14(11-16(15)21)23-20-18-17(26-24-20)6-3-9-22-18;17-11-8-10(3-4-12(11)23-14-9-18-6-7-19-14)21-16-15-13(24-22-16)2-1-5-20-15/h2-11H,1H3,(H,23,24);1-9H,(H,21,22)
• InChIKey: VCAZRRQXJCDKNY-UHFFFAOYSA-N
• XLogP: 9.36
• TPSA: 153.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	703.55
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?

The IUPAC name of [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 161256979) is [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

What is the SMILES notation for [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?

The canonical SMILES for [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is Cc1cccc(C(=O)c2ccc(Nc3noc4cccnc34)cc2Cl)c1.Clc1cc(Nc2noc3cccnc23)ccc1Oc1cnccn1.

What is the InChIKey of [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?

The InChIKey is VCAZRRQXJCDKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2.C16H10ClN5O2/c1-12-4-2-5-13(10-12)19(25)15-8-7-14(11-16(15)21)23-20-18-17(26-24-20)6-3-9-22-18;17-11-8-10(3-4-12(11)23-14-9-18-6-7-19-14)21-16-15-13(24-22-16)2-1-5-20-15/h2-11H,1H3,(H,23,24);1-9H,(H,21,22).

What are the key properties of [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?

[2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 703.55 g/mol, XLogP of 9.36, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-4-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]-(3-methylphenyl)methanone;N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 161256979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).