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

C18H22ClN5O2 — CID 59286704

IUPACethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate
SMILESCCOC(=O)c1ncn2c1[C@@H](CC)N(C1CCCC1)c1nc(Cl)ncc1-2
InChIInChI=1S/C18H22ClN5O2/c1-3-12-15-14(17(25)26-4-2)21-10-23(15)13-9-20-18(19)22-16(13)24(12)11-7-5-6-8-11/h9-12H,3-8H2,1-2H3/t12-/m1/s1
InChIKeyLBRDMGJXHJZNSS-GFCCVEGCSA-N
MW375.86 g/mol
LogP3.71
Rot. Bonds4

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

ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate (PubChem CID 59286704) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate
PubChem CID59286704
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Nameethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate
SMILESCCOC(=O)c1ncn2c1[C@@H](CC)N(C1CCCC1)c1nc(Cl)ncc1-2
InChIInChI=1S/C18H22ClN5O2/c1-3-12-15-14(17(25)26-4-2)21-10-23(15)13-9-20-18(19)22-16(13)24(12)11-7-5-6-8-11/h9-12H,3-8H2,1-2H3/t12-/m1/s1
InChIKeyLBRDMGJXHJZNSS-GFCCVEGCSA-N
XLogP3.71
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
The IUPAC name of ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate (CID 59286704) is ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate.
What is the SMILES notation for ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
The canonical SMILES for ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate is CCOC(=O)c1ncn2c1[C@@H](CC)N(C1CCCC1)c1nc(Cl)ncc1-2.
What is the InChIKey of ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
The InChIKey is LBRDMGJXHJZNSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-3-12-15-14(17(25)26-4-2)21-10-23(15)13-9-20-18(19)22-16(13)24(12)11-7-5-6-8-11/h9-12H,3-8H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate?
ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate has a molecular weight of 375.86 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carboxylate is sourced from PubChem (CID 59286704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).