[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone

C18H16FN3O3 — CID 110147125

IUPAC[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C18H16FN3O3/c19-11-4-3-5-12(8-11)25-16-10-22(9-15(16)23)18(24)17-13-6-1-2-7-14(13)20-21-17/h1-8,15-16,23H,9-10H2,(H,20,21)/t15-,16-/m1/s1
InChIKeyORRCMBKOEQZDNS-HZPDHXFCSA-N
MW341.34 g/mol
LogP1.97
Rot. Bonds3

About [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone

[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 110147125) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID110147125
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C18H16FN3O3/c19-11-4-3-5-12(8-11)25-16-10-22(9-15(16)23)18(24)17-13-6-1-2-7-14(13)20-21-17/h1-8,15-16,23H,9-10H2,(H,20,21)/t15-,16-/m1/s1
InChIKeyORRCMBKOEQZDNS-HZPDHXFCSA-N
XLogP1.97
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone
CID 110147202
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 110146581
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110146828
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26558621
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480
[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 136587995
1H-indazol-3-yl-[(3S,4S)-3-methoxy-4-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 154746629
2-[(3S,4S)-4-(4-fluorophenoxy)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110078438
[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 155496773
[(3R,4R)-4-hydroxy-4-methyl-3-phenoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110159629

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone (CID 110147125) is [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1.
What is the InChIKey of [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is ORRCMBKOEQZDNS-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-11-4-3-5-12(8-11)25-16-10-22(9-15(16)23)18(24)17-13-6-1-2-7-14(13)20-21-17/h1-8,15-16,23H,9-10H2,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 341.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 110147125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).