4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid

C20H26N4O3 — CID 122091628

IUPAC4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1
InChIInChI=1S/C20H26N4O3/c1-20(2,10-9-17(25)26)23-19(27)22-15-7-5-6-14(12-15)18-21-13-16-8-3-4-11-24(16)18/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,25,26)(H2,22,23,27)
InChIKeyQPVVICXVJAZJOI-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.65
Rot. Bonds6

About 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid

4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid (PubChem CID 122091628) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid
PubChem CID122091628
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1
InChIInChI=1S/C20H26N4O3/c1-20(2,10-9-17(25)26)23-19(27)22-15-7-5-6-14(12-15)18-21-13-16-8-3-4-11-24(16)18/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,25,26)(H2,22,23,27)
InChIKeyQPVVICXVJAZJOI-UHFFFAOYSA-N
XLogP3.65
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid with MolForge

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Related Compounds

3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122091625
2-hydroxy-2-methyl-3-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122091632
4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid
CID 122092164
4-methyl-4-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylcarbamoylamino)pentanoic acid
CID 122074288
4-[[3-(cyclohexanecarbonylamino)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086280
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608
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
4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
4-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086537
4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122075180

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid (CID 122091628) is 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1.
What is the InChIKey of 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid?
The InChIKey is QPVVICXVJAZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,10-9-17(25)26)23-19(27)22-15-7-5-6-14(12-15)18-21-13-16-8-3-4-11-24(16)18/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,25,26)(H2,22,23,27).
What are the key properties of 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid?
4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid has a molecular weight of 370.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 122091628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).