3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one

C24H25ClFN7O2 — CID 146299226

About 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one

3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 146299226) has the molecular formula C24H25ClFN7O2 and a molecular weight of 497.96 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one
• PubChem CID: 146299226
• Molecular Formula: C24H25ClFN7O2
• Molecular Weight: 497.96 g/mol
• Exact Mass: 497.17
• IUPAC Name: 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one
• SMILES: CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ncnc2n[nH]c(CN3CCOCC3)c12
• InChI: InChI=1S/C24H25ClFN7O2/c1-13(2)21-18(10-16(24(34)30-21)15-9-14(25)3-4-17(15)26)29-22-20-19(11-33-5-7-35-8-6-33)31-32-23(20)28-12-27-22/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,30,34)(H2,27,28,29,31,32)
• InChIKey: LPWZWSFTTNUFDF-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 111.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.96
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one?

The IUPAC name of 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one (CID 146299226) is 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one.

What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one?

The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ncnc2n[nH]c(CN3CCOCC3)c12.

What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one?

The InChIKey is LPWZWSFTTNUFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN7O2/c1-13(2)21-18(10-16(24(34)30-21)15-9-14(25)3-4-17(15)26)29-22-20-19(11-33-5-7-35-8-6-33)31-32-23(20)28-12-27-22/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,30,34)(H2,27,28,29,31,32).

What are the key properties of 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one?

3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 497.96 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 146299226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).