4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol

C25H29N5O4 — CID 118664265

IUPAC4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol
SMILESCOCCOc1cc(-c2cccc(C(N)CCCO)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C25H29N5O4/c1-33-11-12-34-24-14-17(21-7-3-8-22(29-21)20(26)6-4-10-31)13-23-19(24)15-27-30(23)25-9-2-5-18(16-32)28-25/h2-3,5,7-9,13-15,20,31-32H,4,6,10-12,16,26H2,1H3
InChIKeyAHGWSAPZZQMCBV-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.77
Rot. Bonds11

About 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol

4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol (PubChem CID 118664265) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol
PubChem CID118664265
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol
SMILESCOCCOc1cc(-c2cccc(C(N)CCCO)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C25H29N5O4/c1-33-11-12-34-24-14-17(21-7-3-8-22(29-21)20(26)6-4-10-31)13-23-19(24)15-27-30(23)25-9-2-5-18(16-32)28-25/h2-3,5,7-9,13-15,20,31-32H,4,6,10-12,16,26H2,1H3
InChIKeyAHGWSAPZZQMCBV-UHFFFAOYSA-N
XLogP2.77
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(3-methoxypropoxy)indazol-1-yl]-2-pyridinyl]methanol
CID 118663805
(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-[(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
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
[6-[6-[6-(1-amino-2-methoxybutyl)-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 166646236
[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-aminobutyl]-2-pyridinyl]-4-[(dimethylamino)methyl]indazol-1-yl]-2-pyridinyl]methanol
CID 118664042
[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol
CID 118663987
[6-[6-[4-[(1S)-1-aminobutyl]pyrimidin-2-yl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
CID 118663716
1-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-1-[6-(hydroxymethyl)-2-pyridinyl]indazol-4-yl]azetidine-3-carboxylic acid
CID 118664511

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol?
The IUPAC name of 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol (CID 118664265) is 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol.
What is the SMILES notation for 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol?
The canonical SMILES for 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol is COCCOc1cc(-c2cccc(C(N)CCCO)n2)cc2c1cnn2-c1cccc(CO)n1.
What is the InChIKey of 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol?
The InChIKey is AHGWSAPZZQMCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-33-11-12-34-24-14-17(21-7-3-8-22(29-21)20(26)6-4-10-31)13-23-19(24)15-27-30(23)25-9-2-5-18(16-32)28-25/h2-3,5,7-9,13-15,20,31-32H,4,6,10-12,16,26H2,1H3.
What are the key properties of 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol?
4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol has a molecular weight of 463.54 g/mol, XLogP of 2.77, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[6-[1-[6-(hydroxymethyl)-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butan-1-ol is sourced from PubChem (CID 118664265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).