ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate

C18H17ClN4O3 — CID 165130837

IUPACethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)cc(OCc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C18H17ClN4O3/c1-2-25-18(24)17-21-14(19)7-16(22-17)26-10-13-9-23-8-12(11-3-4-11)5-6-15(23)20-13/h5-9,11H,2-4,10H2,1H3
InChIKeyHMBUXDBSOLUOAD-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.41
Rot. Bonds6

About ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate

ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate (PubChem CID 165130837) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
PubChem CID165130837
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Nameethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)cc(OCc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C18H17ClN4O3/c1-2-25-18(24)17-21-14(19)7-16(22-17)26-10-13-9-23-8-12(11-3-4-11)5-6-15(23)20-13/h5-9,11H,2-4,10H2,1H3
InChIKeyHMBUXDBSOLUOAD-UHFFFAOYSA-N
XLogP3.41
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 165131145
(6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175511414
ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
CID 175511413
4-[(4-carbamimidoyl-2,6-dimethylphenyl)methylamino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylic acid;formic acid
CID 174173365
ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyrimidin-2-yl)methoxy]pyrimidin-2-yl]propanoate
CID 171090180
ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate
CID 165398321
N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine
CID 165131140
ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate
CID 150821073
3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-6-[[4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenyl]methylamino]pyrimidin-2-yl]propanoic acid;formic acid
CID 174202940
[N'-[[4-[[[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]amino]methyl]-3,5-dimethylphenyl]methyl]carbamimidoyl]oxymethyl acetate
CID 170695370

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate (CID 165130837) is ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate is CCOC(=O)c1nc(Cl)cc(OCc2cn3cc(C4CC4)ccc3n2)n1.
What is the InChIKey of ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate?
The InChIKey is HMBUXDBSOLUOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-2-25-18(24)17-21-14(19)7-16(22-17)26-10-13-9-23-8-12(11-3-4-11)5-6-15(23)20-13/h5-9,11H,2-4,10H2,1H3.
What are the key properties of ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate?
ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate has a molecular weight of 372.81 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate is sourced from PubChem (CID 165130837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).