2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C24H22FN7 — CID 157038339

IUPAC2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cccnc1CN1CCN(c2ccn3nc(-c4cccc(F)c4)c(C#N)c3n2)CC1
InChIInChI=1S/C24H22FN7/c1-17-4-3-8-27-21(17)16-30-10-12-31(13-11-30)22-7-9-32-24(28-22)20(15-26)23(29-32)18-5-2-6-19(25)14-18/h2-9,14H,10-13,16H2,1H3
InChIKeyHTWLZKQZAPURNZ-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.43
Rot. Bonds4

About 2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 157038339) has the molecular formula C24H22FN7 and a molecular weight of 427.49 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID157038339
Molecular FormulaC24H22FN7
Molecular Weight427.49 g/mol
Exact Mass427.19
IUPAC Name2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cccnc1CN1CCN(c2ccn3nc(-c4cccc(F)c4)c(C#N)c3n2)CC1
InChIInChI=1S/C24H22FN7/c1-17-4-3-8-27-21(17)16-30-10-12-31(13-11-30)22-7-9-32-24(28-22)20(15-26)23(29-32)18-5-2-6-19(25)14-18/h2-9,14H,10-13,16H2,1H3
InChIKeyHTWLZKQZAPURNZ-UHFFFAOYSA-N
XLogP3.43
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 157038339) is 2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cccnc1CN1CCN(c2ccn3nc(-c4cccc(F)c4)c(C#N)c3n2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is HTWLZKQZAPURNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7/c1-17-4-3-8-27-21(17)16-30-10-12-31(13-11-30)22-7-9-32-24(28-22)20(15-26)23(29-32)18-5-2-6-19(25)14-18/h2-9,14H,10-13,16H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 427.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 157038339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).