1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine

C17H19N5O — CID 866503

IUPAC1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5O/c1-23-14-7-5-13(6-8-14)22-17-15(11-20-22)16(18-12-19-17)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyHDIRSVJGBJGHFV-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.81
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine

1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 866503) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID866503
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5O/c1-23-14-7-5-13(6-8-14)22-17-15(11-20-22)16(18-12-19-17)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyHDIRSVJGBJGHFV-UHFFFAOYSA-N
XLogP2.81
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dorsomorphin
CID 11524144
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
N-(3-methoxyphenyl)-1-methyl-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456450
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
ML347
CID 44577753
N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine
CID 49867482
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 866503) is 1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine is COc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is HDIRSVJGBJGHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-23-14-7-5-13(6-8-14)22-17-15(11-20-22)16(18-12-19-17)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 309.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 866503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).