[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol

C18H17F3N4O2 — CID 90400768

IUPAC[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2cc(-c3n[nH]c4ccc(OC(F)(F)F)cc34)ccn2)C1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)27-13-1-2-15-14(8-13)17(24-23-15)12-3-5-22-16(7-12)25-6-4-11(9-25)10-26/h1-3,5,7-8,11,26H,4,6,9-10H2,(H,23,24)/t11-/m0/s1
InChIKeyDLDBIOGLSIILBU-NSHDSACASA-N
MW378.35 g/mol
LogP3.34
Rot. Bonds4

About [(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol

[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol (PubChem CID 90400768) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is [(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
PubChem CID90400768
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2cc(-c3n[nH]c4ccc(OC(F)(F)F)cc34)ccn2)C1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)27-13-1-2-15-14(8-13)17(24-23-15)12-3-5-22-16(7-12)25-6-4-11(9-25)10-26/h1-3,5,7-8,11,26H,4,6,9-10H2,(H,23,24)/t11-/m0/s1
InChIKeyDLDBIOGLSIILBU-NSHDSACASA-N
XLogP3.34
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol (CID 90400768) is [(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol is OC[C@H]1CCN(c2cc(-c3n[nH]c4ccc(OC(F)(F)F)cc34)ccn2)C1.
What is the InChIKey of [(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The InChIKey is DLDBIOGLSIILBU-NSHDSACASA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)27-13-1-2-15-14(8-13)17(24-23-15)12-3-5-22-16(7-12)25-6-4-11(9-25)10-26/h1-3,5,7-8,11,26H,4,6,9-10H2,(H,23,24)/t11-/m0/s1.
What are the key properties of [(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol has a molecular weight of 378.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 90400768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).