N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide

C15H19ClN6O4 — CID 91091382

IUPACN-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
SMILES[H]/N=N/Cc1cn([C@@H]2OC(CO)C(O)[C@@]2(C)Cl)c2ncnc(NC(C)=O)c12
InChIInChI=1S/C15H19ClN6O4/c1-7(24)21-12-10-8(3-20-17)4-22(13(10)19-6-18-12)14-15(2,16)11(25)9(5-23)26-14/h4,6,9,11,14,17,23,25H,3,5H2,1-2H3,(H,18,19,21,24)/b20-17+/t9?,11?,14-,15-/m1/s1
InChIKeyRZVSGTDLWSUDEY-OLCOVZOJSA-N
MW382.81 g/mol
LogP1.17
Rot. Bonds5

About N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide

N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide (PubChem CID 91091382) has the molecular formula C15H19ClN6O4 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
PubChem CID91091382
Molecular FormulaC15H19ClN6O4
Molecular Weight382.81 g/mol
Exact Mass382.12
IUPAC NameN-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
SMILES[H]/N=N/Cc1cn([C@@H]2OC(CO)C(O)[C@@]2(C)Cl)c2ncnc(NC(C)=O)c12
InChIInChI=1S/C15H19ClN6O4/c1-7(24)21-12-10-8(3-20-17)4-22(13(10)19-6-18-12)14-15(2,16)11(25)9(5-23)26-14/h4,6,9,11,14,17,23,25H,3,5H2,1-2H3,(H,18,19,21,24)/b20-17+/t9?,11?,14-,15-/m1/s1
InChIKeyRZVSGTDLWSUDEY-OLCOVZOJSA-N
XLogP1.17
TPSA145.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide 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

N-[7-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-formylpyrrolo[2,3-d]pyrimidin-4-yl]acetamide
CID 11952599
N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(2-trimethylsilylethynyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
CID 58732340
(2R,3R,4R,5R)-4-chloro-5-[4-(hydroxyamino)-5-[(E)-hydroxyiminomethyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 11952596
N-[5-ethenyl-7-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
CID 11953169
N-[7-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-formylpyrrolo[2,3-d]pyrimidin-4-yl]acetamide
CID 11953120
N-[7-[(2R,3R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-3-methyloxolan-2-yl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]acetamide
CID 71088754
(4R,5R)-4-chloro-5-[5-ethenyl-4-(ethoxyamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58732372
(4R,5R)-4-chloro-5-[4-(ethoxyamino)-5-[(E)-hydrazinylidenemethyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58732381
[4-amino-7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]boronic acid
CID 58732373
N-[7-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(2-methylpropanoylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropanamide
CID 68560209
(4R,5R)-5-(4-amino-5-ethynylpyrrolo[2,3-d]pyrimidin-7-yl)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58732348
7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 46877241

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide (CID 91091382) is N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide is [H]/N=N/Cc1cn([C@@H]2OC(CO)C(O)[C@@]2(C)Cl)c2ncnc(NC(C)=O)c12.
What is the InChIKey of N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide?
The InChIKey is RZVSGTDLWSUDEY-OLCOVZOJSA-N. The full InChI is InChI=1S/C15H19ClN6O4/c1-7(24)21-12-10-8(3-20-17)4-22(13(10)19-6-18-12)14-15(2,16)11(25)9(5-23)26-14/h4,6,9,11,14,17,23,25H,3,5H2,1-2H3,(H,18,19,21,24)/b20-17+/t9?,11?,14-,15-/m1/s1.
What are the key properties of N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide?
N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide has a molecular weight of 382.81 g/mol, XLogP of 1.17, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2R,3R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-(diazenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 91091382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).