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

C17H20ClN5O2 — CID 90804329

IUPACethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate
SMILESCCOC(=O)c1ncn2c1C(C)N(C1CCCC1)c1nc(Cl)ncc1-2
InChIInChI=1S/C17H20ClN5O2/c1-3-25-16(24)13-14-10(2)23(11-6-4-5-7-11)15-12(22(14)9-20-13)8-19-17(18)21-15/h8-11H,3-7H2,1-2H3
InChIKeyOTGHVQGTCABQSE-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.32
Rot. Bonds3

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

ethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate (PubChem CID 90804329) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is ethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate
PubChem CID90804329
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Nameethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate
SMILESCCOC(=O)c1ncn2c1C(C)N(C1CCCC1)c1nc(Cl)ncc1-2
InChIInChI=1S/C17H20ClN5O2/c1-3-25-16(24)13-14-10(2)23(11-6-4-5-7-11)15-12(22(14)9-20-13)8-19-17(18)21-15/h8-11H,3-7H2,1-2H3
InChIKeyOTGHVQGTCABQSE-UHFFFAOYSA-N
XLogP3.32
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.32
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-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
The IUPAC name of ethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate (CID 90804329) is ethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate.
What is the SMILES notation for ethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
The canonical SMILES for ethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate is CCOC(=O)c1ncn2c1C(C)N(C1CCCC1)c1nc(Cl)ncc1-2.
What is the InChIKey of ethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
The InChIKey is OTGHVQGTCABQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-3-25-16(24)13-14-10(2)23(11-6-4-5-7-11)15-12(22(14)9-20-13)8-19-17(18)21-15/h8-11H,3-7H2,1-2H3.
What are the key properties of ethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
ethyl 3-chloro-5-cyclopentyl-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate has a molecular weight of 361.83 g/mol, XLogP of 3.32, 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-6-methyl-6H-imidazo[1,5-f]pteridine-7-carboxylate is sourced from PubChem (CID 90804329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).