[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol

C27H29N5O2 — CID 155123662

IUPAC[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESNCCCCc1cccc(-c2cc(C3=CCOCC3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C27H29N5O2/c28-12-2-1-5-21-6-3-8-25(30-21)20-15-23(19-10-13-34-14-11-19)24-17-29-32(26(24)16-20)27-9-4-7-22(18-33)31-27/h3-4,6-10,15-17,33H,1-2,5,11-14,18,28H2
InChIKeyFJODFJATNAJEPB-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.06
Rot. Bonds8

About [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 155123662) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID155123662
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol
SMILESNCCCCc1cccc(-c2cc(C3=CCOCC3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C27H29N5O2/c28-12-2-1-5-21-6-3-8-25(30-21)20-15-23(19-10-13-34-14-11-19)24-17-29-32(26(24)16-20)27-9-4-7-22(18-33)31-27/h3-4,6-10,15-17,33H,1-2,5,11-14,18,28H2
InChIKeyFJODFJATNAJEPB-UHFFFAOYSA-N
XLogP4.06
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-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

Related Compounds

[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol
CID 155123759
[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 155123690
[6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
CID 155123770
[6-[6-(6-butyl-2-pyridinyl)-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol;methanol
CID 145002479
2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 155123625
[6-[6-(6-butyl-2-pyridinyl)-4-[(3-chloro-2,2-dimethylpropyl)amino]indazol-1-yl]-2-pyridinyl]methanol
CID 118670647
4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]butan-1-ol
CID 118663731
[6-[6-[6-(1-aminobutyl)-2-pyridinyl]-4-(hydroxymethyl)indazol-1-yl]-2-pyridinyl]methanol
CID 118663570
(4S)-4-amino-4-[6-[4-ethoxy-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-ol
CID 118664562
1-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-4-yl]azetidine-3-carboxylic acid
CID 118664511
1-[6-[6-(1-aminobutyl)-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-4-yl]azetidine-3-carboxylic acid
CID 118664513
4-[6-[1-[6-(trifluoromethyl)pyrazin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 155123696

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol (CID 155123662) is [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol is NCCCCc1cccc(-c2cc(C3=CCOCC3)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is FJODFJATNAJEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c28-12-2-1-5-21-6-3-8-25(30-21)20-15-23(19-10-13-34-14-11-19)24-17-29-32(26(24)16-20)27-9-4-7-22(18-33)31-27/h3-4,6-10,15-17,33H,1-2,5,11-14,18,28H2.
What are the key properties of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 455.56 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 155123662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).