[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone

C23H22FN5O2 — CID 1434724

IUPAC[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(N2CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C23H22FN5O2/c1-15-16(2)25-21-14-19(17-5-3-6-18(24)13-17)26-29(21)22(15)27-8-10-28(11-9-27)23(30)20-7-4-12-31-20/h3-7,12-14H,8-11H2,1-2H3
InChIKeyISRDOTRRUXXYDX-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.71
Rot. Bonds3

About [4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 1434724) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is [4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID1434724
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(N2CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C23H22FN5O2/c1-15-16(2)25-21-14-19(17-5-3-6-18(24)13-17)26-29(21)22(15)27-8-10-28(11-9-27)23(30)20-7-4-12-31-20/h3-7,12-14H,8-11H2,1-2H3
InChIKeyISRDOTRRUXXYDX-UHFFFAOYSA-N
XLogP3.71
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 1434724) is [4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CCN(C(=O)c3ccco3)CC2)c1C.
What is the InChIKey of [4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ISRDOTRRUXXYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-15-16(2)25-21-14-19(17-5-3-6-18(24)13-17)26-29(21)22(15)27-8-10-28(11-9-27)23(30)20-7-4-12-31-20/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of [4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 419.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 1434724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).