1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C22H22N6O — CID 1301905

IUPAC1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1
InChIInChI=1S/C22H22N6O/c1-29-19-9-7-18(8-10-19)28-22-20(15-25-28)21(23-16-24-22)27-13-11-26(12-14-27)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3
InChIKeyJHFBFCGFMWKQQE-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 1301905) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID1301905
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1
InChIInChI=1S/C22H22N6O/c1-29-19-9-7-18(8-10-19)28-22-20(15-25-28)21(23-16-24-22)27-13-11-26(12-14-27)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3
InChIKeyJHFBFCGFMWKQQE-UHFFFAOYSA-N
XLogP3.15
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
4-(4-benzylpiperazin-4-ium-1-yl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidine
CID 7439304
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
1-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 17017541
4-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 72547760
(2S,6R)-4-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 866557
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 11896077
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 950348
1-(2,5-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 17017324
4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 6966719

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 1301905) is 1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is COc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is JHFBFCGFMWKQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-29-19-9-7-18(8-10-19)28-22-20(15-25-28)21(23-16-24-22)27-13-11-26(12-14-27)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 386.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 1301905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).