[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C25H24FN5O — CID 19327477

IUPAC[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCc1ccc(-c2ccnc3c(C(=O)N4CCN(Cc5ccccc5F)CC4)cnn23)cc1
InChIInChI=1S/C25H24FN5O/c1-18-6-8-19(9-7-18)23-10-11-27-24-21(16-28-31(23)24)25(32)30-14-12-29(13-15-30)17-20-4-2-3-5-22(20)26/h2-11,16H,12-15,17H2,1H3
InChIKeyOGIRWIPYCVTSHD-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.80
Rot. Bonds4

About [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 19327477) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID19327477
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCc1ccc(-c2ccnc3c(C(=O)N4CCN(Cc5ccccc5F)CC4)cnn23)cc1
InChIInChI=1S/C25H24FN5O/c1-18-6-8-19(9-7-18)23-10-11-27-24-21(16-28-31(23)24)25(32)30-14-12-29(13-15-30)17-20-4-2-3-5-22(20)26/h2-11,16H,12-15,17H2,1H3
InChIKeyOGIRWIPYCVTSHD-UHFFFAOYSA-N
XLogP3.80
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19572343
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46493183
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46974573
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 46974593
N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55789547
(4-benzylpiperidin-1-yl)-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074606
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19327460
(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
(4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46167886
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 19327477) is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is Cc1ccc(-c2ccnc3c(C(=O)N4CCN(Cc5ccccc5F)CC4)cnn23)cc1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is OGIRWIPYCVTSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-18-6-8-19(9-7-18)23-10-11-27-24-21(16-28-31(23)24)25(32)30-14-12-29(13-15-30)17-20-4-2-3-5-22(20)26/h2-11,16H,12-15,17H2,1H3.
What are the key properties of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 429.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 19327477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).