4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

C16H17N3O4 — CID 165457908

IUPAC4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(NC1CCCn2nc(C(=O)O)cc21)OCc1ccccc1
InChIInChI=1S/C16H17N3O4/c20-15(21)13-9-14-12(7-4-8-19(14)18-13)17-16(22)23-10-11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,17,22)(H,20,21)
InChIKeyLTBIYIHYMHZYDV-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.34
Rot. Bonds4

About 4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 165457908) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID165457908
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(NC1CCCn2nc(C(=O)O)cc21)OCc1ccccc1
InChIInChI=1S/C16H17N3O4/c20-15(21)13-9-14-12(7-4-8-19(14)18-13)17-16(22)23-10-11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,17,22)(H,20,21)
InChIKeyLTBIYIHYMHZYDV-UHFFFAOYSA-N
XLogP2.34
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
4-(2-hydroxyethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476080
4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 142375283
methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
benzyl N-[(3S)-1-(4-iodophenyl)-2-oxopiperidin-3-yl]carbamate
CID 58778178
benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11425456
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 136570516
benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate
CID 130993442
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 165457908) is 4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is O=C(NC1CCCn2nc(C(=O)O)cc21)OCc1ccccc1.
What is the InChIKey of 4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is LTBIYIHYMHZYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(21)13-9-14-12(7-4-8-19(14)18-13)17-16(22)23-10-11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,17,22)(H,20,21).
What are the key properties of 4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 165457908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).