1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C16H17ClN6 — CID 892432

IUPAC1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H17ClN6/c1-21-6-8-22(9-7-21)15-14-10-20-23(16(14)19-11-18-15)13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3
InChIKeyLUYOZJXKSDIIJL-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.22
Rot. Bonds2

About 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 892432) has the molecular formula C16H17ClN6 and a molecular weight of 328.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID892432
Molecular FormulaC16H17ClN6
Molecular Weight328.81 g/mol
Exact Mass328.12
IUPAC Name1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H17ClN6/c1-21-6-8-22(9-7-21)15-14-10-20-23(16(14)19-11-18-15)13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3
InChIKeyLUYOZJXKSDIIJL-UHFFFAOYSA-N
XLogP2.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

L-745870
CID 5311200
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
Imidazo[1,2-a]pyridine deriv. 1d
CID 6539021
4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 40504628
Pde2/pde10-IN-1
CID 71295299
4-[(1E)-{2-[1-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 90759135
1-Tert-Butyl-N~3~-(3-Chlorophenyl)-1h-Pyrazolo[3,4-D]pyrimidine-3,4-Diamine
CID 129900194

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 892432) is 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is CN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is LUYOZJXKSDIIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6/c1-21-6-8-22(9-7-21)15-14-10-20-23(16(14)19-11-18-15)13-4-2-12(17)3-5-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 328.81 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 892432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).