(2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol

C23H26ClN5O4 — CID 174010450

IUPAC(2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
SMILESCOC[C@H]1O[C@@H](n2cnc3c(N4CCC5(CCc6ccccc65)C4)nc(Cl)nc32)C(O)C1O
InChIInChI=1S/C23H26ClN5O4/c1-32-10-15-17(30)18(31)21(33-15)29-12-25-16-19(26-22(24)27-20(16)29)28-9-8-23(11-28)7-6-13-4-2-3-5-14(13)23/h2-5,12,15,17-18,21,30-31H,6-11H2,1H3/t15-,17?,18?,21-,23?/m1/s1
InChIKeyKXGBDEQMMSZNIZ-YWSGPEDJSA-N
MW471.95 g/mol
LogP1.84
Rot. Bonds4

About (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol

(2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol (PubChem CID 174010450) has the molecular formula C23H26ClN5O4 and a molecular weight of 471.95 g/mol. Its IUPAC name is (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
PubChem CID174010450
Molecular FormulaC23H26ClN5O4
Molecular Weight471.95 g/mol
Exact Mass471.17
IUPAC Name(2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
SMILESCOC[C@H]1O[C@@H](n2cnc3c(N4CCC5(CCc6ccccc65)C4)nc(Cl)nc32)C(O)C1O
InChIInChI=1S/C23H26ClN5O4/c1-32-10-15-17(30)18(31)21(33-15)29-12-25-16-19(26-22(24)27-20(16)29)28-9-8-23(11-28)7-6-13-4-2-3-5-14(13)23/h2-5,12,15,17-18,21,30-31H,6-11H2,1H3/t15-,17?,18?,21-,23?/m1/s1
InChIKeyKXGBDEQMMSZNIZ-YWSGPEDJSA-N
XLogP1.84
TPSA105.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-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

Related Compounds

[[5-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-azetidine]-1'-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 167092180
[[5-[2-chloro-6-(3,3-diphenylpyrrolidin-1-yl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphanyl]methylphosphonous acid
CID 163377773
(2R,3R,4S,5R)-2-(2-chloro-6-spiro[indene-2,4'-piperidine]-1'-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 175768610
[[5-[2-chloro-6-[3-ethyl-3-(2-methoxyethyl)-2H-indol-1-yl]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 163377622
[[5-[2-chloro-6-(3-oxospiro[1H-indene-2,3'-azetidine]-1'-yl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 167091976
[[5-(2-chloro-6-spiro[2H-indole-3,1'-cyclobutane]-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 167091930
[[(2R,4S,5R)-5-(2-chloro-6-spiro[2H-indole-3,1'-cyclopentane]-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 169057766
(3R,4S,5R)-2-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 90702412
[[(2R,3R,5R)-5-[6-(8-azaspiro[4.5]decan-8-yl)-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 153461342
(2R,3R,4S,5R)-2-[2-chloro-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 59035052
[(2R,4S,5R)-4-acetyloxy-5-[2-chloro-6-(7-fluorospiro[1,2-dihydroindene-3,3'-azetidine]-1'-yl)purin-9-yl]-2-ethyloxolan-3-yl] acetate
CID 174115448
[(2R,3S,4R)-5-(2-chloro-6-piperidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
CID 154988330

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol (CID 174010450) is (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol is COC[C@H]1O[C@@H](n2cnc3c(N4CCC5(CCc6ccccc65)C4)nc(Cl)nc32)C(O)C1O.
What is the InChIKey of (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol?
The InChIKey is KXGBDEQMMSZNIZ-YWSGPEDJSA-N. The full InChI is InChI=1S/C23H26ClN5O4/c1-32-10-15-17(30)18(31)21(33-15)29-12-25-16-19(26-22(24)27-20(16)29)28-9-8-23(11-28)7-6-13-4-2-3-5-14(13)23/h2-5,12,15,17-18,21,30-31H,6-11H2,1H3/t15-,17?,18?,21-,23?/m1/s1.
What are the key properties of (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol?
(2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol has a molecular weight of 471.95 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(2-chloro-6-spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-ylpurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 174010450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).