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

C20H21ClN4O3 — CID 165130878

IUPACethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate
SMILESCCOC(=O)CCc1nc(Cl)cc(OCc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C20H21ClN4O3/c1-2-27-20(26)8-6-17-23-16(21)9-19(24-17)28-12-15-11-25-10-14(13-3-4-13)5-7-18(25)22-15/h5,7,9-11,13H,2-4,6,8,12H2,1H3
InChIKeyLMQBUDIOPFCXBU-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.73
Rot. Bonds8

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

ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate (PubChem CID 165130878) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate
PubChem CID165130878
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Nameethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate
SMILESCCOC(=O)CCc1nc(Cl)cc(OCc2cn3cc(C4CC4)ccc3n2)n1
InChIInChI=1S/C20H21ClN4O3/c1-2-27-20(26)8-6-17-23-16(21)9-19(24-17)28-12-15-11-25-10-14(13-3-4-13)5-7-18(25)22-15/h5,7,9-11,13H,2-4,6,8,12H2,1H3
InChIKeyLMQBUDIOPFCXBU-UHFFFAOYSA-N
XLogP3.73
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.73
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]propanoate?
The IUPAC name of ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate (CID 165130878) is ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate is CCOC(=O)CCc1nc(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]propanoate?
The InChIKey is LMQBUDIOPFCXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-2-27-20(26)8-6-17-23-16(21)9-19(24-17)28-12-15-11-25-10-14(13-3-4-13)5-7-18(25)22-15/h5,7,9-11,13H,2-4,6,8,12H2,1H3.
What are the key properties of ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate?
ethyl 3-[4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-2-yl]propanoate has a molecular weight of 400.87 g/mol, XLogP of 3.73, 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]propanoate is sourced from PubChem (CID 165130878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).