5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C30H22ClN5O2 — CID 134305925

About 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134305925) has the molecular formula C30H22ClN5O2 and a molecular weight of 519.99 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 134305925
• Molecular Formula: C30H22ClN5O2
• Molecular Weight: 519.99 g/mol
• Exact Mass: 519.15
• IUPAC Name: 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: COc1ccc(-c2c(Nc3ccc(Cl)cn3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
• InChI: InChI=1S/C30H22ClN5O2/c1-38-23-15-12-20(13-16-23)26-28(33-24-17-14-22(31)18-32-24)34-29-25(19-8-4-2-5-9-19)27(35-36(29)30(26)37)21-10-6-3-7-11-21/h2-18,35H,1H3,(H,32,33)
• InChIKey: GDNLKANFNHWJDE-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.99
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134305925) is 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3ccc(Cl)cn3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1.

What is the InChIKey of 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is GDNLKANFNHWJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClN5O2/c1-38-23-15-12-20(13-16-23)26-28(33-24-17-14-22(31)18-32-24)34-29-25(19-8-4-2-5-9-19)27(35-36(29)30(26)37)21-10-6-3-7-11-21/h2-18,35H,1H3,(H,32,33).

What are the key properties of 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 519.99 g/mol, XLogP of 6.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-chloro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134305925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).