[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol

C23H24FN5O — CID 118664194

IUPAC[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(CF)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H24FN5O/c1-2-5-19(25)21-8-4-7-20(28-21)15-10-16(12-24)18-13-26-29(22(18)11-15)23-9-3-6-17(14-30)27-23/h3-4,6-11,13,19,30H,2,5,12,14,25H2,1H3/t19-/m0/s1
InChIKeyRAINAYCSAAIGFK-IBGZPJMESA-N
MW405.48 g/mol
LogP4.24
Rot. Bonds7

About [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664194) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664194
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(CF)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H24FN5O/c1-2-5-19(25)21-8-4-7-20(28-21)15-10-16(12-24)18-13-26-29(22(18)11-15)23-9-3-6-17(14-30)27-23/h3-4,6-11,13,19,30H,2,5,12,14,25H2,1H3/t19-/m0/s1
InChIKeyRAINAYCSAAIGFK-IBGZPJMESA-N
XLogP4.24
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.24
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-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol (CID 118664194) is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol is CCC[C@H](N)c1cccc(-c2cc(CF)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is RAINAYCSAAIGFK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24FN5O/c1-2-5-19(25)21-8-4-7-20(28-21)15-10-16(12-24)18-13-26-29(22(18)11-15)23-9-3-6-17(14-30)27-23/h3-4,6-11,13,19,30H,2,5,12,14,25H2,1H3/t19-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 405.48 g/mol, XLogP of 4.24, 7 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-aminobutyl]-2-pyridinyl]-4-(fluoromethyl)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).