3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide

C29H32FN5O — CID 20863039

About 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide

3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (PubChem CID 20863039) has the molecular formula C29H32FN5O and a molecular weight of 485.61 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
• PubChem CID: 20863039
• Molecular Formula: C29H32FN5O
• Molecular Weight: 485.61 g/mol
• Exact Mass: 485.26
• IUPAC Name: 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
• SMILES: Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)Nc1ccc(CN2CCCC2)cc1
• InChI: InChI=1S/C29H32FN5O/c1-19-26(14-15-27(36)32-25-12-6-22(7-13-25)18-34-16-4-5-17-34)21(3)35-29(31-19)28(20(2)33-35)23-8-10-24(30)11-9-23/h6-13H,4-5,14-18H2,1-3H3,(H,32,36)
• InChIKey: ISSJQZVBODSZLV-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.61
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?

The IUPAC name of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (CID 20863039) is 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

What is the SMILES notation for 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?

The canonical SMILES for 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)Nc1ccc(CN2CCCC2)cc1.

What is the InChIKey of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?

The InChIKey is ISSJQZVBODSZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O/c1-19-26(14-15-27(36)32-25-12-6-22(7-13-25)18-34-16-4-5-17-34)21(3)35-29(31-19)28(20(2)33-35)23-8-10-24(30)11-9-23/h6-13H,4-5,14-18H2,1-3H3,(H,32,36).

What are the key properties of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?

3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 485.61 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 20863039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).