2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid

C18H21N3O3 — CID 120528669

IUPAC2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)c2cnn3c2CCCC3)cc1
InChIInChI=1S/C18H21N3O3/c1-18(2,17(23)24)12-6-8-13(9-7-12)20-16(22)14-11-19-21-10-4-3-5-15(14)21/h6-9,11H,3-5,10H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyCSUFWVHZLOFGOD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.83
Rot. Bonds4

About 2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid

2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid (PubChem CID 120528669) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid
PubChem CID120528669
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)c2cnn3c2CCCC3)cc1
InChIInChI=1S/C18H21N3O3/c1-18(2,17(23)24)12-6-8-13(9-7-12)20-16(22)14-11-19-21-10-4-3-5-15(14)21/h6-9,11H,3-5,10H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyCSUFWVHZLOFGOD-UHFFFAOYSA-N
XLogP2.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 120537229
N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 136567344
N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 167954437
N-(5-propan-2-yl-3-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 136567129
4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
CID 120512943
N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 86787157
methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
CID 118139533
2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 138041122
methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate
CID 124619280
1-(5-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea
CID 166256426
2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288
2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 75539634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid (CID 120528669) is 2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(NC(=O)c2cnn3c2CCCC3)cc1.
What is the InChIKey of 2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid?
The InChIKey is CSUFWVHZLOFGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-18(2,17(23)24)12-6-8-13(9-7-12)20-16(22)14-11-19-21-10-4-3-5-15(14)21/h6-9,11H,3-5,10H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid?
2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 120528669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).