cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate

C17H20ClN3O2 — CID 170994601

IUPACcyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESO=C(OC1CCCC1)c1cc2cnc(Cl)nc2n1C1CCCC1
InChIInChI=1S/C17H20ClN3O2/c18-17-19-10-11-9-14(16(22)23-13-7-3-4-8-13)21(15(11)20-17)12-5-1-2-6-12/h9-10,12-13H,1-8H2
InChIKeyHTHPKNKVUUXNDT-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.30
Rot. Bonds3

About cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate

cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate (PubChem CID 170994601) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namecyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate
PubChem CID170994601
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Namecyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESO=C(OC1CCCC1)c1cc2cnc(Cl)nc2n1C1CCCC1
InChIInChI=1S/C17H20ClN3O2/c18-17-19-10-11-9-14(16(22)23-13-7-3-4-8-13)21(15(11)20-17)12-5-1-2-6-12/h9-10,12-13H,1-8H2
InChIKeyHTHPKNKVUUXNDT-UHFFFAOYSA-N
XLogP4.30
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate 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

Ethyl 4,10-dimethyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 25025677
methyl 7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 72207522
Ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 66545092
7-tert-butyl 4-ethyl 7H-pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate
CID 66545093
ethyl 7-methyl-7H-pyrrolo(2,3-d)pyrimidine-4-carboxylate
CID 71299230
methyl 4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 72213405
tert-butyl 4-imino-1H,4H,7H-pyrrolo(2,3-d)pyrimidine-6-carboxylate
CID 132388272
methyl 7-(prop-2-yn-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 165968414
Ethyl 4-(dimethylaminomethylideneamino)-5-methyl-7-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 4362025
Methyl 1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 46839991
2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 58315427
Methyl 2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 135263681

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate (CID 170994601) is cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate is O=C(OC1CCCC1)c1cc2cnc(Cl)nc2n1C1CCCC1.
What is the InChIKey of cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is HTHPKNKVUUXNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-17-19-10-11-9-14(16(22)23-13-7-3-4-8-13)21(15(11)20-17)12-5-1-2-6-12/h9-10,12-13H,1-8H2.
What are the key properties of cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 333.82 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 170994601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).