1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C20H19N7 — CID 1050412

IUPAC1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)ncnc32)cc1
InChIInChI=1S/C20H19N7/c1-2-6-16(7-3-1)27-20-17(14-24-27)19(22-15-23-20)26-12-10-25(11-13-26)18-8-4-5-9-21-18/h1-9,14-15H,10-13H2
InChIKeyUOVQZTBUSPOQCX-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.54
Rot. Bonds3

About 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 1050412) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID1050412
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)ncnc32)cc1
InChIInChI=1S/C20H19N7/c1-2-6-16(7-3-1)27-20-17(14-24-27)19(22-15-23-20)26-12-10-25(11-13-26)18-8-4-5-9-21-18/h1-9,14-15H,10-13H2
InChIKeyUOVQZTBUSPOQCX-UHFFFAOYSA-N
XLogP2.54
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 661092
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 164635273
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 950348
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 127616498
1-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 17017541
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94664592
1-phenyl-4-[4-(2-phenylethyl)piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine
CID 6988765

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 1050412) is 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)ncnc32)cc1.
What is the InChIKey of 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is UOVQZTBUSPOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-2-6-16(7-3-1)27-20-17(14-24-27)19(22-15-23-20)26-12-10-25(11-13-26)18-8-4-5-9-21-18/h1-9,14-15H,10-13H2.
What are the key properties of 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 357.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 1050412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).