3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C23H21FN6O2 — CID 58628488

IUPAC3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3ccc(O)c(F)c3)c2n1
InChIInChI=1S/C23H21FN6O2/c24-17-13-15(5-6-21(17)31)16-14-26-30-10-7-19(27-22(16)30)23(32)28-18-3-1-2-4-20(18)29-11-8-25-9-12-29/h1-7,10,13-14,25,31H,8-9,11-12H2,(H,28,32)
InChIKeyYQUYVWNMQPMXLS-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.90
Rot. Bonds4

About 3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628488) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628488
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3ccc(O)c(F)c3)c2n1
InChIInChI=1S/C23H21FN6O2/c24-17-13-15(5-6-21(17)31)16-14-26-30-10-7-19(27-22(16)30)23(32)28-18-3-1-2-4-20(18)29-11-8-25-9-12-29/h1-7,10,13-14,25,31H,8-9,11-12H2,(H,28,32)
InChIKeyYQUYVWNMQPMXLS-UHFFFAOYSA-N
XLogP2.90
TPSA94.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628488) is 3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3ccc(O)c(F)c3)c2n1.
What is the InChIKey of 3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is YQUYVWNMQPMXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c24-17-13-15(5-6-21(17)31)16-14-26-30-10-7-19(27-22(16)30)23(32)28-18-3-1-2-4-20(18)29-11-8-25-9-12-29/h1-7,10,13-14,25,31H,8-9,11-12H2,(H,28,32).
What are the key properties of 3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-hydroxyphenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).