[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol

C26H31N5O3 — CID 118663805

IUPAC[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(OCCCOC)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C26H31N5O3/c1-3-7-21(27)23-10-5-9-22(30-23)18-14-24-20(25(15-18)34-13-6-12-33-2)16-28-31(24)26-11-4-8-19(17-32)29-26/h4-5,8-11,14-16,21,32H,3,6-7,12-13,17,27H2,1-2H3/t21-/m0/s1
InChIKeyLMCMWKACEZKDQD-NRFANRHFSA-N
MW461.57 g/mol
LogP4.19
Rot. Bonds11

About [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663805) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663805
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(OCCCOC)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C26H31N5O3/c1-3-7-21(27)23-10-5-9-22(30-23)18-14-24-20(25(15-18)34-13-6-12-33-2)16-28-31(24)26-11-4-8-19(17-32)29-26/h4-5,8-11,14-16,21,32H,3,6-7,12-13,17,27H2,1-2H3/t21-/m0/s1
InChIKeyLMCMWKACEZKDQD-NRFANRHFSA-N
XLogP4.19
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol
CID 118664265
(4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol
CID 118664562
[6-[6-[6-(1-aminobutyl)-2-pyridinyl]-4-(hydroxymethyl)indazol-1-yl]-2-pyridinyl]methanol
CID 118663570
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-[iodo(methyl)amino]indazol-1-yl]-2-pyridinyl]methanol
CID 145002472
[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol
CID 118664211
[6-[6-[6-(1-aminopropyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol
CID 118664213
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-[(dimethylamino)methyl]indazol-1-yl]-2-pyridinyl]methanol
CID 118664042
[6-[6-[4-[(1S)-1-aminobutyl]pyrimidin-2-yl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 118663716
[6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 166646236
1-[6-[6-(1-aminobutyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-4-yl]azetidine-3-carboxylic acid
CID 118664513
1-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-4-yl]azetidine-3-carboxylic acid
CID 118664511
[6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol
CID 145002479

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol (CID 118663805) is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol is CCC[C@H](N)c1cccc(-c2cc(OCCCOC)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is LMCMWKACEZKDQD-NRFANRHFSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-3-7-21(27)23-10-5-9-22(30-23)18-14-24-20(25(15-18)34-13-6-12-33-2)16-28-31(24)26-11-4-8-19(17-32)29-26/h4-5,8-11,14-16,21,32H,3,6-7,12-13,17,27H2,1-2H3/t21-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 461.57 g/mol, XLogP of 4.19, 11 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-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).