4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid

C17H20N4O3 — CID 122020581

IUPAC4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid
SMILESO=C(NCc1ccc(C(=O)O)cc1)NCC1CCc2nccn2C1
InChIInChI=1S/C17H20N4O3/c22-16(23)14-4-1-12(2-5-14)9-19-17(24)20-10-13-3-6-15-18-7-8-21(15)11-13/h1-2,4-5,7-8,13H,3,6,9-11H2,(H,22,23)(H2,19,20,24)
InChIKeyJNVAWHOSJNSMJI-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.64
Rot. Bonds5

About 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid

4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid (PubChem CID 122020581) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid
PubChem CID122020581
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid
SMILESO=C(NCc1ccc(C(=O)O)cc1)NCC1CCc2nccn2C1
InChIInChI=1S/C17H20N4O3/c22-16(23)14-4-1-12(2-5-14)9-19-17(24)20-10-13-3-6-15-18-7-8-21(15)11-13/h1-2,4-5,7-8,13H,3,6,9-11H2,(H,22,23)(H2,19,20,24)
InChIKeyJNVAWHOSJNSMJI-UHFFFAOYSA-N
XLogP1.64
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid with MolForge

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Related Compounds

1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea
CID 129473644
4-[[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylcarbamoylamino]methyl]benzoic acid
CID 122020711
1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995675
1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128994207
1-[(1-methoxycyclobutyl)methyl]-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129474764
1-[(1-methoxycyclobutyl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995732
1-(2-ethoxyethyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995723
1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 155949510
N-[(4-piperidin-1-ylphenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129472996
1-(6-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995677
N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129472235
(2S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)oxolane-2-carboxamide
CID 128972669

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid?
The IUPAC name of 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid (CID 122020581) is 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid is O=C(NCc1ccc(C(=O)O)cc1)NCC1CCc2nccn2C1.
What is the InChIKey of 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid?
The InChIKey is JNVAWHOSJNSMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(23)14-4-1-12(2-5-14)9-19-17(24)20-10-13-3-6-15-18-7-8-21(15)11-13/h1-2,4-5,7-8,13H,3,6,9-11H2,(H,22,23)(H2,19,20,24).
What are the key properties of 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid?
4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid has a molecular weight of 328.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid is sourced from PubChem (CID 122020581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).