3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid

C17H20N4O3 — CID 122091625

IUPAC3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1
InChIInChI=1S/C17H20N4O3/c22-15(23)7-8-18-17(24)20-13-5-3-4-12(10-13)16-19-11-14-6-1-2-9-21(14)16/h3-5,10-11H,1-2,6-9H2,(H,22,23)(H2,18,20,24)
InChIKeyMZTAAXRXYCOSDQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.48
Rot. Bonds5

About 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid

3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid (PubChem CID 122091625) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
PubChem CID122091625
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1
InChIInChI=1S/C17H20N4O3/c22-15(23)7-8-18-17(24)20-13-5-3-4-12(10-13)16-19-11-14-6-1-2-9-21(14)16/h3-5,10-11H,1-2,6-9H2,(H,22,23)(H2,18,20,24)
InChIKeyMZTAAXRXYCOSDQ-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid with MolForge

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Related Compounds

4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122091628
2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122091632
3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077035
5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 167973003
2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 75392897
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea
CID 90557029
3-bromo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833016
2-methyl-3-(methylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 119858470
N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]cyclopropanecarboxamide
CID 91664140
2-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide
CID 112833184
4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide
CID 112832993
3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833260

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid (CID 122091625) is 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1.
What is the InChIKey of 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid?
The InChIKey is MZTAAXRXYCOSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-15(23)7-8-18-17(24)20-13-5-3-4-12(10-13)16-19-11-14-6-1-2-9-21(14)16/h3-5,10-11H,1-2,6-9H2,(H,22,23)(H2,18,20,24).
What are the key properties of 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid?
3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122091625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).