5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C23H21BrN6O2 — CID 67258367

About 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 67258367) has the molecular formula C23H21BrN6O2 and a molecular weight of 493.37 g/mol. Its IUPAC name is 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 67258367
• Molecular Formula: C23H21BrN6O2
• Molecular Weight: 493.37 g/mol
• Exact Mass: 492.09
• IUPAC Name: 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
• SMILES: COc1ccc(-c2cc(-c3ccc(N4CCOCC4)nc3)nc3ncnc(N)c23)cc1Br
• InChI: InChI=1S/C23H21BrN6O2/c1-31-19-4-2-14(10-17(19)24)16-11-18(29-23-21(16)22(25)27-13-28-23)15-3-5-20(26-12-15)30-6-8-32-9-7-30/h2-5,10-13H,6-9H2,1H3,(H2,25,27,28,29)
• InChIKey: QBGSUUCPEXSWPK-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 99.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.37
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 67258367) is 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is COc1ccc(-c2cc(-c3ccc(N4CCOCC4)nc3)nc3ncnc(N)c23)cc1Br.

What is the InChIKey of 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is QBGSUUCPEXSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN6O2/c1-31-19-4-2-14(10-17(19)24)16-11-18(29-23-21(16)22(25)27-13-28-23)15-3-5-20(26-12-15)30-6-8-32-9-7-30/h2-5,10-13H,6-9H2,1H3,(H2,25,27,28,29).

What are the key properties of 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?

5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 493.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67258367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).