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

C23H23F2N5O — CID 118664200

IUPAC[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(C(F)F)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H23F2N5O/c1-2-5-18(26)20-8-4-7-19(29-20)14-10-16(23(24)25)17-12-27-30(21(17)11-14)22-9-3-6-15(13-31)28-22/h3-4,6-12,18,23,31H,2,5,13,26H2,1H3/t18-/m0/s1
InChIKeyIFSZUYJGOOUPPM-SFHVURJKSA-N
MW423.47 g/mol
LogP4.71
Rot. Bonds7

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

[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664200) has the molecular formula C23H23F2N5O and a molecular weight of 423.47 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664200
Molecular FormulaC23H23F2N5O
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(C(F)F)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C23H23F2N5O/c1-2-5-18(26)20-8-4-7-19(29-20)14-10-16(23(24)25)17-12-27-30(21(17)11-14)22-9-3-6-15(13-31)28-22/h3-4,6-12,18,23,31H,2,5,13,26H2,1H3/t18-/m0/s1
InChIKeyIFSZUYJGOOUPPM-SFHVURJKSA-N
XLogP4.71
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.71
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-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol (CID 118664200) is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol is CCC[C@H](N)c1cccc(-c2cc(C(F)F)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is IFSZUYJGOOUPPM-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23F2N5O/c1-2-5-18(26)20-8-4-7-19(29-20)14-10-16(23(24)25)17-12-27-30(21(17)11-14)22-9-3-6-15(13-31)28-22/h3-4,6-12,18,23,31H,2,5,13,26H2,1H3/t18-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 423.47 g/mol, XLogP of 4.71, 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-(difluoromethyl)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).