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

C23H20FN5O — CID 46074581

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H20FN5O/c24-19-8-4-5-9-21(19)27-12-14-28(15-13-27)23(30)18-16-26-29-20(10-11-25-22(18)29)17-6-2-1-3-7-17/h1-11,16H,12-15H2
InChIKeyJIQAVLBBVCEODZ-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.50
Rot. Bonds3

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

[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 46074581) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID46074581
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H20FN5O/c24-19-8-4-5-9-21(19)27-12-14-28(15-13-27)23(30)18-16-26-29-20(10-11-25-22(18)29)17-6-2-1-3-7-17/h1-11,16H,12-15H2
InChIKeyJIQAVLBBVCEODZ-UHFFFAOYSA-N
XLogP3.50
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19327477
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55789547
3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55663997
(3-hydroxypiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 110900762
(4-benzylpiperidin-1-yl)-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074606
[4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone
CID 110854620
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 53097562
[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
(4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46167886

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 46074581) is [4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is JIQAVLBBVCEODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-19-8-4-5-9-21(19)27-12-14-28(15-13-27)23(30)18-16-26-29-20(10-11-25-22(18)29)17-6-2-1-3-7-17/h1-11,16H,12-15H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 401.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 46074581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).