[7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C22H21ClFN5OS — CID 135843976

IUPAC[7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(Cl)s2)n2nccc2N1
InChIInChI=1S/C22H21ClFN5OS/c1-14-20(21(17-6-7-18(23)31-17)29-19(26-14)8-9-25-29)22(30)28-12-10-27(11-13-28)16-4-2-15(24)3-5-16/h2-9,21,26H,10-13H2,1H3
InChIKeyHUWWUABLXJGVCC-UHFFFAOYSA-N
MW457.96 g/mol
LogP4.37
Rot. Bonds3

About [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 135843976) has the molecular formula C22H21ClFN5OS and a molecular weight of 457.96 g/mol. Its IUPAC name is [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID135843976
Molecular FormulaC22H21ClFN5OS
Molecular Weight457.96 g/mol
Exact Mass457.11
IUPAC Name[7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(Cl)s2)n2nccc2N1
InChIInChI=1S/C22H21ClFN5OS/c1-14-20(21(17-6-7-18(23)31-17)29-19(26-14)8-9-25-29)22(30)28-12-10-27(11-13-28)16-4-2-15(24)3-5-16/h2-9,21,26H,10-13H2,1H3
InChIKeyHUWWUABLXJGVCC-UHFFFAOYSA-N
XLogP4.37
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone 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 [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 135843976) is [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(Cl)s2)n2nccc2N1.
What is the InChIKey of [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is HUWWUABLXJGVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5OS/c1-14-20(21(17-6-7-18(23)31-17)29-19(26-14)8-9-25-29)22(30)28-12-10-27(11-13-28)16-4-2-15(24)3-5-16/h2-9,21,26H,10-13H2,1H3.
What are the key properties of [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 457.96 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-chlorothiophen-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 135843976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).