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

C24H22N6O2 — CID 118663719

IUPAC[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCc1cnc(-c2cc(-c3cccc([C@H](C)N)n3)cc3c2cnn3-c2cccc(CO)n2)o1
InChIInChI=1S/C24H22N6O2/c1-14-11-26-24(32-14)18-9-16(21-7-4-6-20(29-21)15(2)25)10-22-19(18)12-27-30(22)23-8-3-5-17(13-31)28-23/h3-12,15,31H,13,25H2,1-2H3/t15-/m0/s1
InChIKeyLJOQXZGTMBIQHZ-HNNXBMFYSA-N
MW426.48 g/mol
LogP3.96
Rot. Bonds5

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

[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663719) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminoethyl]-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-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663719
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCc1cnc(-c2cc(-c3cccc([C@H](C)N)n3)cc3c2cnn3-c2cccc(CO)n2)o1
InChIInChI=1S/C24H22N6O2/c1-14-11-26-24(32-14)18-9-16(21-7-4-6-20(29-21)15(2)25)10-22-19(18)12-27-30(22)23-8-3-5-17(13-31)28-23/h3-12,15,31H,13,25H2,1-2H3/t15-/m0/s1
InChIKeyLJOQXZGTMBIQHZ-HNNXBMFYSA-N
XLogP3.96
TPSA115.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-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-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol (CID 118663719) is [6-[6-[6-[(1S)-1-aminoethyl]-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-aminoethyl]-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-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol is Cc1cnc(-c2cc(-c3cccc([C@H](C)N)n3)cc3c2cnn3-c2cccc(CO)n2)o1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is LJOQXZGTMBIQHZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-14-11-26-24(32-14)18-9-16(21-7-4-6-20(29-21)15(2)25)10-22-19(18)12-27-30(22)23-8-3-5-17(13-31)28-23/h3-12,15,31H,13,25H2,1-2H3/t15-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 426.48 g/mol, XLogP of 3.96, 5 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-aminoethyl]-2-pyridinyl]-4-(5-methyl-1,3-oxazol-2-yl)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).