6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione

C33H35FN4O4 — CID 158807299

About 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione

6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 158807299) has the molecular formula C33H35FN4O4 and a molecular weight of 570.67 g/mol. Its IUPAC name is 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 158807299
• Molecular Formula: C33H35FN4O4
• Molecular Weight: 570.67 g/mol
• Exact Mass: 570.26
• IUPAC Name: 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: CC(=O)CC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccccc4CN4CCOCC4)c3)c2=O)CC1
• InChI: InChI=1S/C33H35FN4O4/c1-22(39)17-23-9-11-27(12-10-23)38-32(40)30-19-26(34)20-35-31(30)37(33(38)41)28-7-4-6-24(18-28)29-8-3-2-5-25(29)21-36-13-15-42-16-14-36/h2-8,18-20,23,27H,9-17,21H2,1H3
• InChIKey: IUFUXAKIDVWGAV-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 86.43 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.67
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 158807299) is 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione is CC(=O)CC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccccc4CN4CCOCC4)c3)c2=O)CC1.

What is the InChIKey of 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is IUFUXAKIDVWGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4O4/c1-22(39)17-23-9-11-27(12-10-23)38-32(40)30-19-26(34)20-35-31(30)37(33(38)41)28-7-4-6-24(18-28)29-8-3-2-5-25(29)21-36-13-15-42-16-14-36/h2-8,18-20,23,27H,9-17,21H2,1H3.

What are the key properties of 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione?

6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 570.67 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]-3-[4-(2-oxopropyl)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 158807299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).