1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid

C30H33N5O3 — CID 59320976

IUPAC1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(CN5CCCC(C)(C(=O)O)C5)cc4)ccn23)c1
InChIInChI=1S/C30H33N5O3/c1-3-31-29(38)33-25-7-4-6-24(16-25)26-18-32-27-17-23(12-15-35(26)27)22-10-8-21(9-11-22)19-34-14-5-13-30(2,20-34)28(36)37/h4,6-12,15-18H,3,5,13-14,19-20H2,1-2H3,(H,36,37)(H2,31,33,38)
InChIKeyJEZDBYICIXKMKD-UHFFFAOYSA-N
MW511.63 g/mol
LogP5.50
Rot. Bonds7

About 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid

1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 59320976) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID59320976
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC Name1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(CN5CCCC(C)(C(=O)O)C5)cc4)ccn23)c1
InChIInChI=1S/C30H33N5O3/c1-3-31-29(38)33-25-7-4-6-24(16-25)26-18-32-27-17-23(12-15-35(26)27)22-10-8-21(9-11-22)19-34-14-5-13-30(2,20-34)28(36)37/h4,6-12,15-18H,3,5,13-14,19-20H2,1-2H3,(H,36,37)(H2,31,33,38)
InChIKeyJEZDBYICIXKMKD-UHFFFAOYSA-N
XLogP5.50
TPSA98.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid (CID 59320976) is 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid is CCNC(=O)Nc1cccc(-c2cnc3cc(-c4ccc(CN5CCCC(C)(C(=O)O)C5)cc4)ccn23)c1.
What is the InChIKey of 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is JEZDBYICIXKMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c1-3-31-29(38)33-25-7-4-6-24(16-25)26-18-32-27-17-23(12-15-35(26)27)22-10-8-21(9-11-22)19-34-14-5-13-30(2,20-34)28(36)37/h4,6-12,15-18H,3,5,13-14,19-20H2,1-2H3,(H,36,37)(H2,31,33,38).
What are the key properties of 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid?
1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 511.63 g/mol, XLogP of 5.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-[3-(ethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]methyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 59320976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).