[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol

C26H26N6O2 — CID 118664407

IUPAC[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(-c3ncc(C)o3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C26H26N6O2/c1-3-6-21(27)23-9-5-8-22(31-23)17-11-19(26-28-13-16(2)34-26)20-14-29-32(24(20)12-17)25-10-4-7-18(15-33)30-25/h4-5,7-14,21,33H,3,6,15,27H2,1-2H3/t21-/m0/s1
InChIKeyVACRXUWYXOIODI-NRFANRHFSA-N
MW454.53 g/mol
LogP4.74
Rot. Bonds7

About [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664407) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664407
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(-c3ncc(C)o3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C26H26N6O2/c1-3-6-21(27)23-9-5-8-22(31-23)17-11-19(26-28-13-16(2)34-26)20-14-29-32(24(20)12-17)25-10-4-7-18(15-33)30-25/h4-5,7-14,21,33H,3,6,15,27H2,1-2H3/t21-/m0/s1
InChIKeyVACRXUWYXOIODI-NRFANRHFSA-N
XLogP4.74
TPSA115.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol (CID 118664407) is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol is CCC[C@H](N)c1cccc(-c2cc(-c3ncc(C)o3)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is VACRXUWYXOIODI-NRFANRHFSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-3-6-21(27)23-9-5-8-22(31-23)17-11-19(26-28-13-16(2)34-26)20-14-29-32(24(20)12-17)25-10-4-7-18(15-33)30-25/h4-5,7-14,21,33H,3,6,15,27H2,1-2H3/t21-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 454.53 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).