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

C24H24F3N5O2 — CID 118663577

IUPAC[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
SMILESCCOc1cc(-c2cccc([C@@H](N)CCC(F)(F)F)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C24H24F3N5O2/c1-2-34-22-12-15(19-6-4-7-20(31-19)18(28)9-10-24(25,26)27)11-21-17(22)13-29-32(21)23-8-3-5-16(14-33)30-23/h3-8,11-13,18,33H,2,9-10,14,28H2,1H3/t18-/m0/s1
InChIKeyKZWMPKDUKBKCHV-SFHVURJKSA-N
MW471.48 g/mol
LogP4.72
Rot. Bonds8

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

[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663577) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663577
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC Name[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
SMILESCCOc1cc(-c2cccc([C@@H](N)CCC(F)(F)F)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C24H24F3N5O2/c1-2-34-22-12-15(19-6-4-7-20(31-19)18(28)9-10-24(25,26)27)11-21-17(22)13-29-32(21)23-8-3-5-16(14-33)30-23/h3-8,11-13,18,33H,2,9-10,14,28H2,1H3/t18-/m0/s1
InChIKeyKZWMPKDUKBKCHV-SFHVURJKSA-N
XLogP4.72
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol (CID 118663577) is [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol is CCOc1cc(-c2cccc([C@@H](N)CCC(F)(F)F)n2)cc2c1cnn2-c1cccc(CO)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is KZWMPKDUKBKCHV-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-2-34-22-12-15(19-6-4-7-20(31-19)18(28)9-10-24(25,26)27)11-21-17(22)13-29-32(21)23-8-3-5-16(14-33)30-23/h3-8,11-13,18,33H,2,9-10,14,28H2,1H3/t18-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 471.48 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-amino-4,4,4-trifluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).