5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine

C21H20FN7O — CID 134326873

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccnc(N4CCNCC4)c3)c2n1
InChIInChI=1S/C21H20FN7O/c1-30-16-4-2-3-14(22)18(16)21-25-12-15-20(26-21)19(28-27-15)13-5-6-24-17(11-13)29-9-7-23-8-10-29/h2-6,11-12,23H,7-10H2,1H3,(H,27,28)
InChIKeyACCSCPLKSVPMDL-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.64
Rot. Bonds4

About 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine

5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 134326873) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine
PubChem CID134326873
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccnc(N4CCNCC4)c3)c2n1
InChIInChI=1S/C21H20FN7O/c1-30-16-4-2-3-14(22)18(16)21-25-12-15-20(26-21)19(28-27-15)13-5-6-24-17(11-13)29-9-7-23-8-10-29/h2-6,11-12,23H,7-10H2,1H3,(H,27,28)
InChIKeyACCSCPLKSVPMDL-UHFFFAOYSA-N
XLogP2.64
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine (CID 134326873) is 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine is COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccnc(N4CCNCC4)c3)c2n1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is ACCSCPLKSVPMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-30-16-4-2-3-14(22)18(16)21-25-12-15-20(26-21)19(28-27-15)13-5-6-24-17(11-13)29-9-7-23-8-10-29/h2-6,11-12,23H,7-10H2,1H3,(H,27,28).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine?
5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 405.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 134326873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).