2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid

C16H17N3O4 — CID 120537229

IUPAC2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cnn3c2CCCC3)cc1
InChIInChI=1S/C16H17N3O4/c20-15(21)10-23-12-6-4-11(5-7-12)18-16(22)13-9-17-19-8-2-1-3-14(13)19/h4-7,9H,1-3,8,10H2,(H,18,22)(H,20,21)
InChIKeyDTHPBXLOQDTLKF-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.94
Rot. Bonds5

About 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid

2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid (PubChem CID 120537229) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid
PubChem CID120537229
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cnn3c2CCCC3)cc1
InChIInChI=1S/C16H17N3O4/c20-15(21)10-23-12-6-4-11(5-7-12)18-16(22)13-9-17-19-8-2-1-3-14(13)19/h4-7,9H,1-3,8,10H2,(H,18,22)(H,20,21)
InChIKeyDTHPBXLOQDTLKF-UHFFFAOYSA-N
XLogP1.94
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid
CID 120528669
N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 167954437
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
CID 63772208
N-[4-(4-amino-4-oxobutan-2-yl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 136567344
8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid
CID 120535565
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
2-(4-benzamidophenoxy)acetic acid
CID 3830392
2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid
CID 107371543
2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
CID 63745197
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120512689
methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75520661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid (CID 120537229) is 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)c2cnn3c2CCCC3)cc1.
What is the InChIKey of 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid?
The InChIKey is DTHPBXLOQDTLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(21)10-23-12-6-4-11(5-7-12)18-16(22)13-9-17-19-8-2-1-3-14(13)19/h4-7,9H,1-3,8,10H2,(H,18,22)(H,20,21).
What are the key properties of 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid?
2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 120537229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).