1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole

C18H17F2N3O — CID 11667059

IUPAC1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole
SMILESFc1ccc(-n2nc(OC[C@H]3CCNC3)c3ccccc32)c(F)c1
InChIInChI=1S/C18H17F2N3O/c19-13-5-6-17(15(20)9-13)23-16-4-2-1-3-14(16)18(22-23)24-11-12-7-8-21-10-12/h1-6,9,12,21H,7-8,10-11H2/t12-/m0/s1
InChIKeyZYFRCYKICOBYOV-LBPRGKRZSA-N
MW329.35 g/mol
LogP3.29
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole

1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole (PubChem CID 11667059) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole
PubChem CID11667059
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole
SMILESFc1ccc(-n2nc(OC[C@H]3CCNC3)c3ccccc32)c(F)c1
InChIInChI=1S/C18H17F2N3O/c19-13-5-6-17(15(20)9-13)23-16-4-2-1-3-14(16)18(22-23)24-11-12-7-8-21-10-12/h1-6,9,12,21H,7-8,10-11H2/t12-/m0/s1
InChIKeyZYFRCYKICOBYOV-LBPRGKRZSA-N
XLogP3.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-(pyrrolidin-3-ylmethoxy)indazole
CID 25120227
1-(2,5-difluorophenyl)-5-fluoro-3-(pyrrolidin-3-ylmethoxy)indazole
CID 57479407
1-(2,4-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole;hydrochloride
CID 68531598
1-(2,6-difluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 11631528
1-(3,4-difluorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531522
but-2-enedioic acid;5-fluoro-1-(2-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole
CID 68531476
5-fluoro-1-(4-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methoxy]indazole;hydrochloride
CID 68533546
1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531582
bis(1-(2-fluorophenyl)-3-piperidin-4-yloxyindazole);hydrochloride
CID 172813926
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
1-(2,6-difluorophenyl)-4-fluoro-3-(piperidin-3-ylmethoxy)indazole
CID 68534726
2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine
CID 25120226

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole (CID 11667059) is 1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole is Fc1ccc(-n2nc(OC[C@H]3CCNC3)c3ccccc32)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole?
The InChIKey is ZYFRCYKICOBYOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17F2N3O/c19-13-5-6-17(15(20)9-13)23-16-4-2-1-3-14(16)18(22-23)24-11-12-7-8-21-10-12/h1-6,9,12,21H,7-8,10-11H2/t12-/m0/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole?
1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole has a molecular weight of 329.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole is sourced from PubChem (CID 11667059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).