2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid

C12H13ClN4O3 — CID 175291268

IUPAC2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid
SMILESCN1C(=O)C2(CCN(C(=O)O)CC2)c2nc(Cl)ncc21
InChIInChI=1S/C12H13ClN4O3/c1-16-7-6-14-10(13)15-8(7)12(9(16)18)2-4-17(5-3-12)11(19)20/h6H,2-5H2,1H3,(H,19,20)
InChIKeyRNCIGSUGWBXEJB-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.12
Rot. Bonds

About 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid

2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid (PubChem CID 175291268) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid.

Molecular Properties

Compound Name2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid
PubChem CID175291268
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Name2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid
SMILESCN1C(=O)C2(CCN(C(=O)O)CC2)c2nc(Cl)ncc21
InChIInChI=1S/C12H13ClN4O3/c1-16-7-6-14-10(13)15-8(7)12(9(16)18)2-4-17(5-3-12)11(19)20/h6H,2-5H2,1H3,(H,19,20)
InChIKeyRNCIGSUGWBXEJB-UHFFFAOYSA-N
XLogP1.12
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid with MolForge

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Related Compounds

2'-chloro-1-hydroxy-1,5'-dimethylspiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362927
2-chloro-6a-ethyl-5-methyl-8,9,10,11-tetrahydro-7H-azepino[2,1-h]pteridin-6-one;methane
CID 158651053
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 56915501
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1-methyl-1'-(1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97386070
2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 83835396
tert-butyl 4-chloro-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 138594237
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
CID 155825279
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895
2-chloro-7-methyl-9-(pyrrolidine-1-carbonyl)purin-8-one
CID 88581581

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid?
The IUPAC name of 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid (CID 175291268) is 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid.
What is the SMILES notation for 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid?
The canonical SMILES for 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid is CN1C(=O)C2(CCN(C(=O)O)CC2)c2nc(Cl)ncc21.
What is the InChIKey of 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid?
The InChIKey is RNCIGSUGWBXEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c1-16-7-6-14-10(13)15-8(7)12(9(16)18)2-4-17(5-3-12)11(19)20/h6H,2-5H2,1H3,(H,19,20).
What are the key properties of 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid?
2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid has a molecular weight of 296.71 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chloro-5'-methyl-6'-oxospiro[piperidine-4,7'-pyrrolo[3,2-d]pyrimidine]-1-carboxylic acid is sourced from PubChem (CID 175291268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).