(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid

C19H23N3O4 — CID 154789058

IUPAC(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)Cn3ncc4ccccc43)CC2)O1
InChIInChI=1S/C19H23N3O4/c23-18(12-22-15-4-2-1-3-14(15)11-20-22)21-9-7-13(8-10-21)16-5-6-17(26-16)19(24)25/h1-4,11,13,16-17H,5-10,12H2,(H,24,25)/t16-,17+/m0/s1
InChIKeySVWUMNHYBNAFEV-DLBZAZTESA-N
MW357.41 g/mol
LogP1.91
Rot. Bonds4

About (2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid

(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid (PubChem CID 154789058) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
PubChem CID154789058
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)Cn3ncc4ccccc43)CC2)O1
InChIInChI=1S/C19H23N3O4/c23-18(12-22-15-4-2-1-3-14(15)11-20-22)21-9-7-13(8-10-21)16-5-6-17(26-16)19(24)25/h1-4,11,13,16-17H,5-10,12H2,(H,24,25)/t16-,17+/m0/s1
InChIKeySVWUMNHYBNAFEV-DLBZAZTESA-N
XLogP1.91
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324189
1-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324191
2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone
CID 99938258
(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154788478
1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone
CID 45180211
3-indazol-1-yl-1-[(2S)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]piperidin-1-yl]propan-1-one
CID 125019809
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-5-carboxylic acid
CID 53206386
1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone
CID 91764065
(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
CID 129352878
5-(azetidin-1-yl)-2-[1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 128974471

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid (CID 154789058) is (2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)Cn3ncc4ccccc43)CC2)O1.
What is the InChIKey of (2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid?
The InChIKey is SVWUMNHYBNAFEV-DLBZAZTESA-N. The full InChI is InChI=1S/C19H23N3O4/c23-18(12-22-15-4-2-1-3-14(15)11-20-22)21-9-7-13(8-10-21)16-5-6-17(26-16)19(24)25/h1-4,11,13,16-17H,5-10,12H2,(H,24,25)/t16-,17+/m0/s1.
What are the key properties of (2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid?
(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid is sourced from PubChem (CID 154789058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).