8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid

C16H25N3O3 — CID 120535565

IUPAC8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C16H25N3O3/c20-15(21)9-4-2-1-3-6-10-17-16(22)13-12-18-19-11-7-5-8-14(13)19/h12H,1-11H2,(H,17,22)(H,20,21)
InChIKeyYVPXJKVIJDYDNN-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.37
Rot. Bonds9

About 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid

8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid (PubChem CID 120535565) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid.

Molecular Properties

Compound Name8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid
PubChem CID120535565
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1cnn2c1CCCC2
InChIInChI=1S/C16H25N3O3/c20-15(21)9-4-2-1-3-6-10-17-16(22)13-12-18-19-11-7-5-8-14(13)19/h12H,1-11H2,(H,17,22)(H,20,21)
InChIKeyYVPXJKVIJDYDNN-UHFFFAOYSA-N
XLogP2.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
CID 120512943
2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 120525619
N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 75520895
N-[(5-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56893899
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 120530814
2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 120537229
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
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56913786
1-amino-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonylamino)urea
CID 155182788
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746
6-(pyridazine-4-carbonylamino)hexanoic acid
CID 112555129

Frequently Asked Questions

What is the IUPAC name of 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid?
The IUPAC name of 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid (CID 120535565) is 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid.
What is the SMILES notation for 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid?
The canonical SMILES for 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid is O=C(O)CCCCCCCNC(=O)c1cnn2c1CCCC2.
What is the InChIKey of 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid?
The InChIKey is YVPXJKVIJDYDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c20-15(21)9-4-2-1-3-6-10-17-16(22)13-12-18-19-11-7-5-8-14(13)19/h12H,1-11H2,(H,17,22)(H,20,21).
What are the key properties of 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid?
8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid is sourced from PubChem (CID 120535565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).