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

C25H29ClN4O4 — CID 25140624

IUPAC4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCC(=O)O)cccn12
InChIInChI=1S/C25H29ClN4O4/c1-3-13-29(14-4-2)22(32)16-20-24(17-7-9-18(26)10-8-17)28-25-19(6-5-15-30(20)25)27-21(31)11-12-23(33)34/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,27,31)(H,33,34)
InChIKeyBIDLQZHPGLUSJC-UHFFFAOYSA-N
MW484.98 g/mol
LogP4.65
Rot. Bonds11

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

4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid (PubChem CID 25140624) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid
PubChem CID25140624
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC Name4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCC(=O)O)cccn12
InChIInChI=1S/C25H29ClN4O4/c1-3-13-29(14-4-2)22(32)16-20-24(17-7-9-18(26)10-8-17)28-25-19(6-5-15-30(20)25)27-21(31)11-12-23(33)34/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,27,31)(H,33,34)
InChIKeyBIDLQZHPGLUSJC-UHFFFAOYSA-N
XLogP4.65
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid (CID 25140624) is 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCC(=O)O)cccn12.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid?
The InChIKey is BIDLQZHPGLUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c1-3-13-29(14-4-2)22(32)16-20-24(17-7-9-18(26)10-8-17)28-25-19(6-5-15-30(20)25)27-21(31)11-12-23(33)34/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,27,31)(H,33,34).
What are the key properties of 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid?
4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid has a molecular weight of 484.98 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-3-[2-(dipropylamino)-2-oxoethyl]imidazo[1,2-a]pyridin-8-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 25140624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).