ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate

C16H18ClN5O2 — CID 86640222

IUPACethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate
SMILESCCOC(=O)c1ncn2c1CN(C1CCCC1)c1nc(Cl)ncc1-2
InChIInChI=1S/C16H18ClN5O2/c1-2-24-15(23)13-12-8-21(10-5-3-4-6-10)14-11(22(12)9-19-13)7-18-16(17)20-14/h7,9-10H,2-6,8H2,1H3
InChIKeyXMTSGVXUXBKFLJ-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.76
Rot. Bonds3

About ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate

ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate (PubChem CID 86640222) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate
PubChem CID86640222
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Nameethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate
SMILESCCOC(=O)c1ncn2c1CN(C1CCCC1)c1nc(Cl)ncc1-2
InChIInChI=1S/C16H18ClN5O2/c1-2-24-15(23)13-12-8-21(10-5-3-4-6-10)14-11(22(12)9-19-13)7-18-16(17)20-14/h7,9-10H,2-6,8H2,1H3
InChIKeyXMTSGVXUXBKFLJ-UHFFFAOYSA-N
XLogP2.76
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
The IUPAC name of ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate (CID 86640222) is ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate.
What is the SMILES notation for ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
The canonical SMILES for ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate is CCOC(=O)c1ncn2c1CN(C1CCCC1)c1nc(Cl)ncc1-2.
What is the InChIKey of ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
The InChIKey is XMTSGVXUXBKFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-2-24-15(23)13-12-8-21(10-5-3-4-6-10)14-11(22(12)9-19-13)7-18-16(17)20-14/h7,9-10H,2-6,8H2,1H3.
What are the key properties of ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate has a molecular weight of 347.81 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-5-cyclopentyl-6H-imidazo[1,5-f]pteridine-7-carboxylate is sourced from PubChem (CID 86640222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).