(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide

C23H22FN3O3 — CID 128967513

IUPAC(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C23H22FN3O3/c24-18-7-3-4-8-19(18)27-13-15(12-25-27)22-17(9-10-30-22)23(29)26-21-16-6-2-1-5-14(16)11-20(21)28/h1-8,12-13,17,20-22,28H,9-11H2,(H,26,29)/t17-,20-,21+,22+/m0/s1
InChIKeyRFKAAJLMQQLFTO-GUGJDKNPSA-N
MW407.45 g/mol
LogP2.86
Rot. Bonds4

About (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide

(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide (PubChem CID 128967513) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide
PubChem CID128967513
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C23H22FN3O3/c24-18-7-3-4-8-19(18)27-13-15(12-25-27)22-17(9-10-30-22)23(29)26-21-16-6-2-1-5-14(16)11-20(21)28/h1-8,12-13,17,20-22,28H,9-11H2,(H,26,29)/t17-,20-,21+,22+/m0/s1
InChIKeyRFKAAJLMQQLFTO-GUGJDKNPSA-N
XLogP2.86
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide (CID 128967513) is (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide is O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1.
What is the InChIKey of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide?
The InChIKey is RFKAAJLMQQLFTO-GUGJDKNPSA-N. The full InChI is InChI=1S/C23H22FN3O3/c24-18-7-3-4-8-19(18)27-13-15(12-25-27)22-17(9-10-30-22)23(29)26-21-16-6-2-1-5-14(16)11-20(21)28/h1-8,12-13,17,20-22,28H,9-11H2,(H,26,29)/t17-,20-,21+,22+/m0/s1.
What are the key properties of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide?
(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128967513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).