1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine

C21H27N7 — CID 59686636

IUPAC1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1cc(N2CCNCC2)ccc1Nc1ncc2cnn(C3CCCCC3)c2n1
InChIInChI=1S/C21H27N7/c1-2-4-19(5-3-1)28-20-16(15-24-28)14-23-21(26-20)25-17-6-8-18(9-7-17)27-12-10-22-11-13-27/h6-9,14-15,19,22H,1-5,10-13H2,(H,23,25,26)
InChIKeyZEBMZQZNDAYULB-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.48
Rot. Bonds4

About 1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine

1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 59686636) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID59686636
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC Name1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1cc(N2CCNCC2)ccc1Nc1ncc2cnn(C3CCCCC3)c2n1
InChIInChI=1S/C21H27N7/c1-2-4-19(5-3-1)28-20-16(15-24-28)14-23-21(26-20)25-17-6-8-18(9-7-17)27-12-10-22-11-13-27/h6-9,14-15,19,22H,1-5,10-13H2,(H,23,25,26)
InChIKeyZEBMZQZNDAYULB-UHFFFAOYSA-N
XLogP3.48
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 24959348
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
1-[(1S)-1,2-dihydroacenaphthylen-1-yl]-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 24999961
1-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]-2-methylprop-1-en-1-ol
CID 143730565
7-cyclopentyl-5-methyl-N-(4-piperidin-1-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58015910
1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine
CID 24958986
1-cyclohexyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 143260391
7-cyclopentyl-5,5-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidin-6-one
CID 58015854
1-cyclohexyl-N-[4-[[4-(2-nitrosoethyl)piperazin-1-yl]methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 143984675
1-[(4-methoxyphenyl)methyl]-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 67003357
7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 59290955
4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59686558

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 59686636) is 1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine is c1cc(N2CCNCC2)ccc1Nc1ncc2cnn(C3CCCCC3)c2n1.
What is the InChIKey of 1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is ZEBMZQZNDAYULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c1-2-4-19(5-3-1)28-20-16(15-24-28)14-23-21(26-20)25-17-6-8-18(9-7-17)27-12-10-22-11-13-27/h6-9,14-15,19,22H,1-5,10-13H2,(H,23,25,26).
What are the key properties of 1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 377.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 59686636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).