[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

C22H20F3N5O — CID 118663821

IUPAC[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESN[C@@H](CCC(F)(F)F)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C22H20F3N5O/c23-22(24,25)10-9-17(26)19-5-2-4-18(29-19)14-7-8-15-12-27-30(20(15)11-14)21-6-1-3-16(13-31)28-21/h1-8,11-12,17,31H,9-10,13,26H2/t17-/m0/s1
InChIKeyUGUAYJKLCWYPRF-KRWDZBQOSA-N
MW427.43 g/mol
LogP4.32
Rot. Bonds6

About [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663821) has the molecular formula C22H20F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663821
Molecular FormulaC22H20F3N5O
Molecular Weight427.43 g/mol
Exact Mass427.16
IUPAC Name[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESN[C@@H](CCC(F)(F)F)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C22H20F3N5O/c23-22(24,25)10-9-17(26)19-5-2-4-18(29-19)14-7-8-15-12-27-30(20(15)11-14)21-6-1-3-16(13-31)28-21/h1-8,11-12,17,31H,9-10,13,26H2/t17-/m0/s1
InChIKeyUGUAYJKLCWYPRF-KRWDZBQOSA-N
XLogP4.32
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (CID 118663821) is [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is N[C@@H](CCC(F)(F)F)c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is UGUAYJKLCWYPRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20F3N5O/c23-22(24,25)10-9-17(26)19-5-2-4-18(29-19)14-7-8-15-12-27-30(20(15)11-14)21-6-1-3-16(13-31)28-21/h1-8,11-12,17,31H,9-10,13,26H2/t17-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 427.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).