[(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid

C26H43N3O5 — CID 68786751

IUPAC[(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid
SMILESCOCCCn1ncc2ccc(C[C@H](C[C@H](NC(=O)O)[C@H](O)C[C@H](CO)C(C)C)C(C)C)cc21
InChIInChI=1S/C26H43N3O5/c1-17(2)21(13-23(28-26(32)33)25(31)14-22(16-30)18(3)4)11-19-7-8-20-15-27-29(24(20)12-19)9-6-10-34-5/h7-8,12,15,17-18,21-23,25,28,30-31H,6,9-11,13-14,16H2,1-5H3,(H,32,33)/t21-,22-,23+,25-/m1/s1
InChIKeyMVPHUNNXEBTVAD-AGDMDRQQSA-N
MW477.65 g/mol
LogP3.93
Rot. Bonds15

About [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid

[(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid (PubChem CID 68786751) has the molecular formula C26H43N3O5 and a molecular weight of 477.65 g/mol. Its IUPAC name is [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid
PubChem CID68786751
Molecular FormulaC26H43N3O5
Molecular Weight477.65 g/mol
Exact Mass477.32
IUPAC Name[(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid
SMILESCOCCCn1ncc2ccc(C[C@H](C[C@H](NC(=O)O)[C@H](O)C[C@H](CO)C(C)C)C(C)C)cc21
InChIInChI=1S/C26H43N3O5/c1-17(2)21(13-23(28-26(32)33)25(31)14-22(16-30)18(3)4)11-19-7-8-20-15-27-29(24(20)12-19)9-6-10-34-5/h7-8,12,15,17-18,21-23,25,28,30-31H,6,9-11,13-14,16H2,1-5H3,(H,32,33)/t21-,22-,23+,25-/m1/s1
InChIKeyMVPHUNNXEBTVAD-AGDMDRQQSA-N
XLogP3.93
TPSA116.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid 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 [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid?
The IUPAC name of [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid (CID 68786751) is [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid.
What is the SMILES notation for [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid?
The canonical SMILES for [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid is COCCCn1ncc2ccc(C[C@H](C[C@H](NC(=O)O)[C@H](O)C[C@H](CO)C(C)C)C(C)C)cc21.
What is the InChIKey of [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid?
The InChIKey is MVPHUNNXEBTVAD-AGDMDRQQSA-N. The full InChI is InChI=1S/C26H43N3O5/c1-17(2)21(13-23(28-26(32)33)25(31)14-22(16-30)18(3)4)11-19-7-8-20-15-27-29(24(20)12-19)9-6-10-34-5/h7-8,12,15,17-18,21-23,25,28,30-31H,6,9-11,13-14,16H2,1-5H3,(H,32,33)/t21-,22-,23+,25-/m1/s1.
What are the key properties of [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid?
[(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid has a molecular weight of 477.65 g/mol, XLogP of 3.93, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S,6R,8S)-6-hydroxy-8-(hydroxymethyl)-3-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-2,9-dimethyldecan-5-yl]carbamic acid is sourced from PubChem (CID 68786751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).