4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol

C26H31N7O2 — CID 71817798

IUPAC4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H31N7O2/c34-20-10-8-18(9-11-20)30-26-31-24(23-25(32-26)33(16-29-23)19-4-1-2-5-19)28-15-17-7-12-21(27-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20,34H,1-2,4-5,8-11,15H2,(H2,28,30,31,32)
InChIKeyQRHZLIIXJAOPFU-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.92
Rot. Bonds7

About 4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol

4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol (PubChem CID 71817798) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol
PubChem CID71817798
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C26H31N7O2/c34-20-10-8-18(9-11-20)30-26-31-24(23-25(32-26)33(16-29-23)19-4-1-2-5-19)28-15-17-7-12-21(27-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20,34H,1-2,4-5,8-11,15H2,(H2,28,30,31,32)
InChIKeyQRHZLIIXJAOPFU-UHFFFAOYSA-N
XLogP4.92
TPSA113.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol (CID 71817798) is 4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is QRHZLIIXJAOPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c34-20-10-8-18(9-11-20)30-26-31-24(23-25(32-26)33(16-29-23)19-4-1-2-5-19)28-15-17-7-12-21(27-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20,34H,1-2,4-5,8-11,15H2,(H2,28,30,31,32).
What are the key properties of 4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol?
4-[[9-cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 473.58 g/mol, XLogP of 4.92, 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-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 71817798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).