CID 52942967

C23H28N7O5 — CID 52942967

IUPAC—
SMILESCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc5c(c4)C(C)(C)N([O])C5(C)C)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C23H28N7O5/c1-22(2)12-7-6-11(8-13(12)23(3,4)30(22)34)28-18-14-19(26-9-25-18)29(10-27-14)21-16(32)15(31)17(35-21)20(33)24-5/h6-10,15-17,21,31-32H,1-5H3,(H,24,33)(H,25,26,28)/t15-,16+,17-,21+/m0/s1
InChIKeyRYAYBBPBSNJSLU-GRXQJBFDSA-N
MW482.52 g/mol
LogP1.07
Rot. Bonds4

About CID 52942967

CID 52942967 (PubChem CID 52942967) has the molecular formula C23H28N7O5 and a molecular weight of 482.52 g/mol.

Molecular Properties

Compound NameCID 52942967
PubChem CID52942967
Molecular FormulaC23H28N7O5
Molecular Weight482.52 g/mol
Exact Mass482.22
IUPAC Name—
SMILESCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc5c(c4)C(C)(C)N([O])C5(C)C)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C23H28N7O5/c1-22(2)12-7-6-11(8-13(12)23(3,4)30(22)34)28-18-14-19(26-9-25-18)29(10-27-14)21-16(32)15(31)17(35-21)20(33)24-5/h6-10,15-17,21,31-32H,1-5H3,(H,24,33)(H,25,26,28)/t15-,16+,17-,21+/m0/s1
InChIKeyRYAYBBPBSNJSLU-GRXQJBFDSA-N
XLogP1.07
TPSA157.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze CID 52942967 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

(2S,3S,4R,5R)-5-[6-(3-cyanoanilino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CID 25224131
(2S,3S,4R,5R)-5-[6-(4-chloroanilino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 101033167
(2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-[6-(4-phenylbutylamino)purin-9-yl]oxolane-2-carboxamide
CID 164622009
3-[[[9-[(3R,4S,5S)-3,4-dihydroxy-5-(methylcarbamoyl)oxolan-2-yl]purin-6-yl]amino]methyl]benzenesulfonic acid
CID 46876336
(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-(3-iodoanilino)purin-9-yl]-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 164562393
(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide;prop-1-en-2-olate
CID 86640716
N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-N'-[4-[[[9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylcarbamoyl)oxolan-2-yl]purin-6-yl]amino]methyl]phenyl]butanediamide
CID 46887673
(2S,3S,4R,5R)-5-[6-[[2-(dimethylamino)-7-methyl-1,3-benzoxazol-5-yl]methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CID 11477205
(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N'-methyloxolane-2-carbohydrazide
CID 164562335
3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N'-methyloxolane-2-carbohydrazide
CID 175465026
(2S,3S,4R,5R)-N-ethyl-5-[6-[(3-fluorophenyl)carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide
CID 10551314
(2S,3S,4R,5R)-N,3,4-trihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolane-2-carboxamide
CID 164562562

Frequently Asked Questions

What is the IUPAC name of CID 52942967?
The IUPAC name of CID 52942967 (CID 52942967) is not available.
What is the SMILES notation for CID 52942967?
The canonical SMILES for CID 52942967 is CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc5c(c4)C(C)(C)N([O])C5(C)C)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of CID 52942967?
The InChIKey is RYAYBBPBSNJSLU-GRXQJBFDSA-N. The full InChI is InChI=1S/C23H28N7O5/c1-22(2)12-7-6-11(8-13(12)23(3,4)30(22)34)28-18-14-19(26-9-25-18)29(10-27-14)21-16(32)15(31)17(35-21)20(33)24-5/h6-10,15-17,21,31-32H,1-5H3,(H,24,33)(H,25,26,28)/t15-,16+,17-,21+/m0/s1.
What are the key properties of CID 52942967?
CID 52942967 has a molecular weight of 482.52 g/mol, XLogP of 1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 52942967 is sourced from PubChem (CID 52942967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).