(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide

C21H21FN4O2 — CID 128966459

IUPAC(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide
SMILESO=C(NCCc1cccnc1)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C21H21FN4O2/c22-18-5-1-2-6-19(18)26-14-16(13-25-26)20-17(8-11-28-20)21(27)24-10-7-15-4-3-9-23-12-15/h1-6,9,12-14,17,20H,7-8,10-11H2,(H,24,27)/t17-,20+/m0/s1
InChIKeyDQRWXSSBHOMCOF-FXAWDEMLSA-N
MW380.42 g/mol
LogP2.84
Rot. Bonds6

About (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide

(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide (PubChem CID 128966459) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide
PubChem CID128966459
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide
SMILESO=C(NCCc1cccnc1)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C21H21FN4O2/c22-18-5-1-2-6-19(18)26-14-16(13-25-26)20-17(8-11-28-20)21(27)24-10-7-15-4-3-9-23-12-15/h1-6,9,12-14,17,20H,7-8,10-11H2,(H,24,27)/t17-,20+/m0/s1
InChIKeyDQRWXSSBHOMCOF-FXAWDEMLSA-N
XLogP2.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 129003529
1-(2-fluorophenyl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39561723
2-amino-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 64822976
(2S,3S)-N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-2-pyridin-3-yloxolane-3-carboxamide
CID 136587140
1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide
CID 110409079
(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
CID 134709742
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005917
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776
3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 115161689
(2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 129323627
N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47153707

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide (CID 128966459) is (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide is O=C(NCCc1cccnc1)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1.
What is the InChIKey of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide?
The InChIKey is DQRWXSSBHOMCOF-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-18-5-1-2-6-19(18)26-14-16(13-25-26)20-17(8-11-28-20)21(27)24-10-7-15-4-3-9-23-12-15/h1-6,9,12-14,17,20H,7-8,10-11H2,(H,24,27)/t17-,20+/m0/s1.
What are the key properties of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide?
(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 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-(2-pyridin-3-ylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 128966459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).