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

C26H29FN4O2 — CID 5308963

IUPAC3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C26H29FN4O2/c1-16(7-12-22-6-5-15-33-22)28-24(32)14-13-23-17(2)29-26-25(18(3)30-31(26)19(23)4)20-8-10-21(27)11-9-20/h5-6,8-11,15-16H,7,12-14H2,1-4H3,(H,28,32)
InChIKeyUTURPAUEBUIDJO-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.12
Rot. Bonds8

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

3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide (PubChem CID 5308963) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
PubChem CID5308963
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C26H29FN4O2/c1-16(7-12-22-6-5-15-33-22)28-24(32)14-13-23-17(2)29-26-25(18(3)30-31(26)19(23)4)20-8-10-21(27)11-9-20/h5-6,8-11,15-16H,7,12-14H2,1-4H3,(H,28,32)
InChIKeyUTURPAUEBUIDJO-UHFFFAOYSA-N
XLogP5.12
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(furan-2-yl)butan-2-yl]propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide (CID 5308963) is 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide is Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NC(C)CCc1ccco1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide?
The InChIKey is UTURPAUEBUIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-16(7-12-22-6-5-15-33-22)28-24(32)14-13-23-17(2)29-26-25(18(3)30-31(26)19(23)4)20-8-10-21(27)11-9-20/h5-6,8-11,15-16H,7,12-14H2,1-4H3,(H,28,32).
What are the key properties of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide?
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide has a molecular weight of 448.54 g/mol, XLogP of 5.12, 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-[4-(furan-2-yl)butan-2-yl]propanamide is sourced from PubChem (CID 5308963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).