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

C25H30FN5O2 — CID 20863053

IUPAC3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C25H30FN5O2/c1-16-21(11-12-22(32)27-13-5-15-30-14-4-6-23(30)33)18(3)31-25(28-16)24(17(2)29-31)19-7-9-20(26)10-8-19/h7-10H,4-6,11-15H2,1-3H3,(H,27,32)
InChIKeyCVNYQFCIGJCASI-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.52
Rot. Bonds8

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

3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 20863053) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID20863053
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C25H30FN5O2/c1-16-21(11-12-22(32)27-13-5-15-30-14-4-6-23(30)33)18(3)31-25(28-16)24(17(2)29-31)19-7-9-20(26)10-8-19/h7-10H,4-6,11-15H2,1-3H3,(H,27,32)
InChIKeyCVNYQFCIGJCASI-UHFFFAOYSA-N
XLogP3.52
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 20863053) is 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NCCCN1CCCC1=O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is CVNYQFCIGJCASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-16-21(11-12-22(32)27-13-5-15-30-14-4-6-23(30)33)18(3)31-25(28-16)24(17(2)29-31)19-7-9-20(26)10-8-19/h7-10H,4-6,11-15H2,1-3H3,(H,27,32).
What are the key properties of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 451.55 g/mol, XLogP of 3.52, 8 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-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 20863053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).