ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate

C27H33ClN4O4 — CID 25140760

IUPACethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCC(=O)OCC)cccn12
InChIInChI=1S/C27H33ClN4O4/c1-4-15-31(16-5-2)24(34)18-22-26(19-9-11-20(28)12-10-19)30-27-21(8-7-17-32(22)27)29-23(33)13-14-25(35)36-6-3/h7-12,17H,4-6,13-16,18H2,1-3H3,(H,29,33)
InChIKeyOYPGLVDFSJQDQY-UHFFFAOYSA-N
MW513.04 g/mol
LogP5.13
Rot. Bonds12

About ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate

ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate (PubChem CID 25140760) has the molecular formula C27H33ClN4O4 and a molecular weight of 513.04 g/mol. Its IUPAC name is ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate
PubChem CID25140760
Molecular FormulaC27H33ClN4O4
Molecular Weight513.04 g/mol
Exact Mass512.22
IUPAC Nameethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCC(=O)OCC)cccn12
InChIInChI=1S/C27H33ClN4O4/c1-4-15-31(16-5-2)24(34)18-22-26(19-9-11-20(28)12-10-19)30-27-21(8-7-17-32(22)27)29-23(33)13-14-25(35)36-6-3/h7-12,17H,4-6,13-16,18H2,1-3H3,(H,29,33)
InChIKeyOYPGLVDFSJQDQY-UHFFFAOYSA-N
XLogP5.13
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.04
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate (CID 25140760) is ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCC(=O)OCC)cccn12.
What is the InChIKey of ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate?
The InChIKey is OYPGLVDFSJQDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O4/c1-4-15-31(16-5-2)24(34)18-22-26(19-9-11-20(28)12-10-19)30-27-21(8-7-17-32(22)27)29-23(33)13-14-25(35)36-6-3/h7-12,17H,4-6,13-16,18H2,1-3H3,(H,29,33).
What are the key properties of ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate?
ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate has a molecular weight of 513.04 g/mol, XLogP of 5.13, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 25140760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).