ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate

C22H25ClN4O3 — CID 165130937

IUPACethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)Cc1nc(Cl)cc(OCc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C22H25ClN4O3/c1-4-29-21(28)22(2,3)10-18-25-17(23)9-20(26-18)30-13-16-12-27-11-15(14-5-6-14)7-8-19(27)24-16/h7-9,11-12,14H,4-6,10,13H2,1-3H3
InChIKeyNVKIUDNZLDBMAX-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.37
Rot. Bonds8

About ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate

ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate (PubChem CID 165130937) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate
PubChem CID165130937
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Nameethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)Cc1nc(Cl)cc(OCc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C22H25ClN4O3/c1-4-29-21(28)22(2,3)10-18-25-17(23)9-20(26-18)30-13-16-12-27-11-15(14-5-6-14)7-8-19(27)24-16/h7-9,11-12,14H,4-6,10,13H2,1-3H3
InChIKeyNVKIUDNZLDBMAX-UHFFFAOYSA-N
XLogP4.37
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate (CID 165130937) is ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)Cc1nc(Cl)cc(OCc2cn3cc(C4CC4)ccc3n2)n1.
What is the InChIKey of ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate?
The InChIKey is NVKIUDNZLDBMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-4-29-21(28)22(2,3)10-18-25-17(23)9-20(26-18)30-13-16-12-27-11-15(14-5-6-14)7-8-19(27)24-16/h7-9,11-12,14H,4-6,10,13H2,1-3H3.
What are the key properties of ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate?
ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate has a molecular weight of 428.92 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 165130937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).