1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea

C16H20FN5O2 — CID 128993229

IUPAC1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
SMILESCCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccncc2F)cn1
InChIInChI=1S/C16H20FN5O2/c1-2-22-10-11(8-19-22)15-14(4-3-7-24-15)21-16(23)20-13-5-6-18-9-12(13)17/h5-6,8-10,14-15H,2-4,7H2,1H3,(H2,18,20,21,23)/t14-,15+/m0/s1
InChIKeyXNNZAGRTFPQBMD-LSDHHAIUSA-N
MW333.37 g/mol
LogP2.48
Rot. Bonds4

About 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea

1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea (PubChem CID 128993229) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
PubChem CID128993229
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
SMILESCCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccncc2F)cn1
InChIInChI=1S/C16H20FN5O2/c1-2-22-10-11(8-19-22)15-14(4-3-7-24-15)21-16(23)20-13-5-6-18-9-12(13)17/h5-6,8-10,14-15H,2-4,7H2,1H3,(H2,18,20,21,23)/t14-,15+/m0/s1
InChIKeyXNNZAGRTFPQBMD-LSDHHAIUSA-N
XLogP2.48
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
CID 166407891
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-fluoro-3-methylbenzamide
CID 129006150
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 128970251
1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea
CID 75506436
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea
CID 128968666
(2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide
CID 129479503
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide
CID 129006077
1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 146135749
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129342159

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea?
The IUPAC name of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea (CID 128993229) is 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea.
What is the SMILES notation for 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea?
The canonical SMILES for 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea is CCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccncc2F)cn1.
What is the InChIKey of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea?
The InChIKey is XNNZAGRTFPQBMD-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-2-22-10-11(8-19-22)15-14(4-3-7-24-15)21-16(23)20-13-5-6-18-9-12(13)17/h5-6,8-10,14-15H,2-4,7H2,1H3,(H2,18,20,21,23)/t14-,15+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea?
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea has a molecular weight of 333.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea is sourced from PubChem (CID 128993229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).