5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid

C26H31ClN4O4 — CID 25140625

IUPAC5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCCC(=O)O)cccn12
InChIInChI=1S/C26H31ClN4O4/c1-3-14-30(15-4-2)23(33)17-21-25(18-10-12-19(27)13-11-18)29-26-20(7-6-16-31(21)26)28-22(32)8-5-9-24(34)35/h6-7,10-13,16H,3-5,8-9,14-15,17H2,1-2H3,(H,28,32)(H,34,35)
InChIKeyUYKXOZZGIXPHSU-UHFFFAOYSA-N
MW499.01 g/mol
LogP5.04
Rot. Bonds12

About 5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid

5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid (PubChem CID 25140625) has the molecular formula C26H31ClN4O4 and a molecular weight of 499.01 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid
PubChem CID25140625
Molecular FormulaC26H31ClN4O4
Molecular Weight499.01 g/mol
Exact Mass498.20
IUPAC Name5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCCC(=O)O)cccn12
InChIInChI=1S/C26H31ClN4O4/c1-3-14-30(15-4-2)23(33)17-21-25(18-10-12-19(27)13-11-18)29-26-20(7-6-16-31(21)26)28-22(32)8-5-9-24(34)35/h6-7,10-13,16H,3-5,8-9,14-15,17H2,1-2H3,(H,28,32)(H,34,35)
InChIKeyUYKXOZZGIXPHSU-UHFFFAOYSA-N
XLogP5.04
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid (CID 25140625) is 5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCCC(=O)O)cccn12.
What is the InChIKey of 5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid?
The InChIKey is UYKXOZZGIXPHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O4/c1-3-14-30(15-4-2)23(33)17-21-25(18-10-12-19(27)13-11-18)29-26-20(7-6-16-31(21)26)28-22(32)8-5-9-24(34)35/h6-7,10-13,16H,3-5,8-9,14-15,17H2,1-2H3,(H,28,32)(H,34,35).
What are the key properties of 5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid?
5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid has a molecular weight of 499.01 g/mol, XLogP of 5.04, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 25140625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).