7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C22H22FN5S — CID 1434804

IUPAC7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(-c3cccs3)nn2c(N2CCN(c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C22H22FN5S/c1-15-16(2)24-21-14-19(20-4-3-13-29-20)25-28(21)22(15)27-11-9-26(10-12-27)18-7-5-17(23)6-8-18/h3-8,13-14H,9-12H2,1-2H3
InChIKeySZMVWIJSZRHFCD-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.54
Rot. Bonds3

About 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 1434804) has the molecular formula C22H22FN5S and a molecular weight of 407.52 g/mol. Its IUPAC name is 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID1434804
Molecular FormulaC22H22FN5S
Molecular Weight407.52 g/mol
Exact Mass407.16
IUPAC Name7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(-c3cccs3)nn2c(N2CCN(c3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C22H22FN5S/c1-15-16(2)24-21-14-19(20-4-3-13-29-20)25-28(21)22(15)27-11-9-26(10-12-27)18-7-5-17(23)6-8-18/h3-8,13-14H,9-12H2,1-2H3
InChIKeySZMVWIJSZRHFCD-UHFFFAOYSA-N
XLogP4.54
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
CID 2988303
1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
5-Ethyl-8-fluoro-3-(2-piperidin-1-ylethylsulfanyl)-[1,2,4]triazino[5,6-b]indole
CID 2987903
5-Methyl-2-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819639
(4-Benzyl-piperazin-1-yl)-(5-thiophen-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl)-methanone
CID 1040117
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
3-[(2-Fluorophenyl)methyl]-7-thiophen-2-yltriazolo[4,5-d]pyrimidin-5-amine
CID 9880392
10-(benzenesulfonyl)-N-benzyl-N-methyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 16019580
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015493
(4-Benzyl-piperazin-1-yl)-(5-thiophen-2-yl-7-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 1079610
3-(4-Fluorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine
CID 1472857

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 1434804) is 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is Cc1nc2cc(-c3cccs3)nn2c(N2CCN(c3ccc(F)cc3)CC2)c1C.
What is the InChIKey of 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SZMVWIJSZRHFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5S/c1-15-16(2)24-21-14-19(20-4-3-13-29-20)25-28(21)22(15)27-11-9-26(10-12-27)18-7-5-17(23)6-8-18/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 407.52 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-fluorophenyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1434804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).