7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

C25H26FN5O — CID 3770513

IUPAC7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(F)cc1CN1CCN(c2cc(C)nc3c(-c4ccccc4)cnn23)CC1
InChIInChI=1S/C25H26FN5O/c1-18-14-24(31-25(28-18)22(16-27-31)19-6-4-3-5-7-19)30-12-10-29(11-13-30)17-20-15-21(26)8-9-23(20)32-2/h3-9,14-16H,10-13,17H2,1-2H3
InChIKeyJMSDMVRSBNHQLZ-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.17
Rot. Bonds5

About 7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 3770513) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID3770513
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(F)cc1CN1CCN(c2cc(C)nc3c(-c4ccccc4)cnn23)CC1
InChIInChI=1S/C25H26FN5O/c1-18-14-24(31-25(28-18)22(16-27-31)19-6-4-3-5-7-19)30-12-10-29(11-13-30)17-20-15-21(26)8-9-23(20)32-2/h3-9,14-16H,10-13,17H2,1-2H3
InChIKeyJMSDMVRSBNHQLZ-UHFFFAOYSA-N
XLogP4.17
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 3770513) is 7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is COc1ccc(F)cc1CN1CCN(c2cc(C)nc3c(-c4ccccc4)cnn23)CC1.
What is the InChIKey of 7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JMSDMVRSBNHQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-18-14-24(31-25(28-18)22(16-27-31)19-6-4-3-5-7-19)30-12-10-29(11-13-30)17-20-15-21(26)8-9-23(20)32-2/h3-9,14-16H,10-13,17H2,1-2H3.
What are the key properties of 7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 431.52 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3770513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).