4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol

C26H32N8O — CID 90332835

IUPAC4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(NCc3ccc(-n4cccn4)cc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H32N8O/c35-22-12-8-19(9-13-22)30-26-31-24(23-25(32-26)33(17-28-23)20-4-1-2-5-20)27-16-18-6-10-21(11-7-18)34-15-3-14-29-34/h3,6-7,10-11,14-15,17,19-20,22,35H,1-2,4-5,8-9,12-13,16H2,(H2,27,30,31,32)
InChIKeyITDZYORNTGYQSR-UHFFFAOYSA-N
MW472.60 g/mol
LogP4.45
Rot. Bonds7

About 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol

4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol (PubChem CID 90332835) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol
PubChem CID90332835
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(NCc3ccc(-n4cccn4)cc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H32N8O/c35-22-12-8-19(9-13-22)30-26-31-24(23-25(32-26)33(17-28-23)20-4-1-2-5-20)27-16-18-6-10-21(11-7-18)34-15-3-14-29-34/h3,6-7,10-11,14-15,17,19-20,22,35H,1-2,4-5,8-9,12-13,16H2,(H2,27,30,31,32)
InChIKeyITDZYORNTGYQSR-UHFFFAOYSA-N
XLogP4.45
TPSA105.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[9-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol
CID 117089373
2-N-(4-aminocyclohexyl)-6-N-[(4-chlorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 18473431
2-N-[(1R,3S)-4-amino-3-fluorocyclohexyl]-6-N-benzyl-9-cyclopentylpurine-2,6-diamine
CID 69348559
4-[[6-(benzylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]amino]cyclohexan-1-ol
CID 117092399
3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]benzamide;dihydrochloride
CID 18457555
9-cyclobutyl-2-N,6-N-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine
CID 11762052
6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117093752
2-N-(4-amino-3-methylcyclohexyl)-6-N-[[6-(2-aminophenyl)-3-pyridinyl]methyl]-9-cyclopentylpurine-2,6-diamine
CID 144680088
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]purine-2,6-diamine
CID 71817797
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
9-cyclohexyl-2-N-(4-imidazol-1-ylphenyl)-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117089131
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
CID 118671240

Frequently Asked Questions

What is the IUPAC name of 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol (CID 90332835) is 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(NCc3ccc(-n4cccn4)cc3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is ITDZYORNTGYQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c35-22-12-8-19(9-13-22)30-26-31-24(23-25(32-26)33(17-28-23)20-4-1-2-5-20)27-16-18-6-10-21(11-7-18)34-15-3-14-29-34/h3,6-7,10-11,14-15,17,19-20,22,35H,1-2,4-5,8-9,12-13,16H2,(H2,27,30,31,32).
What are the key properties of 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol?
4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 472.60 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[9-cyclopentyl-6-[(4-pyrazol-1-ylphenyl)methylamino]purin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 90332835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).