(2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol

C23H27F2N5O5 — CID 174342882

IUPAC(2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](n2c(NC3CCCC3)nc3c(OCc4ccc(OC(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C23H27F2N5O5/c1-12-17(31)18(32)21(34-12)30-19-16(29-23(30)28-14-4-2-3-5-14)20(27-11-26-19)33-10-13-6-8-15(9-7-13)35-22(24)25/h6-9,11-12,14,17-18,21-22,31-32H,2-5,10H2,1H3,(H,28,29)/t12-,17-,18-,21-/m1/s1
InChIKeyKLNXKWWOYZNEPJ-CNZTYRRKSA-N
MW491.50 g/mol
LogP3.00
Rot. Bonds8

About (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol

(2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol (PubChem CID 174342882) has the molecular formula C23H27F2N5O5 and a molecular weight of 491.50 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol
PubChem CID174342882
Molecular FormulaC23H27F2N5O5
Molecular Weight491.50 g/mol
Exact Mass491.20
IUPAC Name(2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](n2c(NC3CCCC3)nc3c(OCc4ccc(OC(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C23H27F2N5O5/c1-12-17(31)18(32)21(34-12)30-19-16(29-23(30)28-14-4-2-3-5-14)20(27-11-26-19)33-10-13-6-8-15(9-7-13)35-22(24)25/h6-9,11-12,14,17-18,21-22,31-32H,2-5,10H2,1H3,(H,28,29)/t12-,17-,18-,21-/m1/s1
InChIKeyKLNXKWWOYZNEPJ-CNZTYRRKSA-N
XLogP3.00
TPSA123.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol (CID 174342882) is (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol is C[C@H]1O[C@@H](n2c(NC3CCCC3)nc3c(OCc4ccc(OC(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol?
The InChIKey is KLNXKWWOYZNEPJ-CNZTYRRKSA-N. The full InChI is InChI=1S/C23H27F2N5O5/c1-12-17(31)18(32)21(34-12)30-19-16(29-23(30)28-14-4-2-3-5-14)20(27-11-26-19)33-10-13-6-8-15(9-7-13)35-22(24)25/h6-9,11-12,14,17-18,21-22,31-32H,2-5,10H2,1H3,(H,28,29)/t12-,17-,18-,21-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol?
(2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol has a molecular weight of 491.50 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 174342882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).