[6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol

C23H24FN5O3 — CID 118663835

IUPAC[6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol
SMILESCOCCOc1cc(-c2cccc([C@@H](N)CF)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C23H24FN5O3/c1-31-8-9-32-22-11-15(19-5-3-6-20(28-19)18(25)12-24)10-21-17(22)13-26-29(21)23-7-2-4-16(14-30)27-23/h2-7,10-11,13,18,30H,8-9,12,14,25H2,1H3/t18-/m0/s1
InChIKeyOYQFBXBUPYMUEU-SFHVURJKSA-N
MW437.48 g/mol
LogP2.97
Rot. Bonds9

About [6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663835) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is [6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663835
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name[6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol
SMILESCOCCOc1cc(-c2cccc([C@@H](N)CF)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C23H24FN5O3/c1-31-8-9-32-22-11-15(19-5-3-6-20(28-19)18(25)12-24)10-21-17(22)13-26-29(21)23-7-2-4-16(14-30)27-23/h2-7,10-11,13,18,30H,8-9,12,14,25H2,1H3/t18-/m0/s1
InChIKeyOYQFBXBUPYMUEU-SFHVURJKSA-N
XLogP2.97
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.97
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-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol with MolForge

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Related Compounds

AZ-Tak1
CID 71543324
4-[[4-(4-Methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 24961360
4-[[4-[4-(3-Hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743442
4-[[4-(4-Propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743458
3-[1-[2-[(4-Hydroxycyclohexyl)amino]pyrimidin-4-yl]indazol-4-yl]oxypropane-1,2-diol
CID 59743549
6-(2-aminopyrimidin-4-yl)-4-(oxan-3-yloxy)-1H-indazol-3-amine
CID 156021318
US10246456, Example 510
CID 118663577
US10246456, Example 572
CID 118663619
US10246456, Example 579
CID 118663645
US10246456, Example 514
CID 118663777
US10246456, Example 523
CID 118663802
US10246456, Example 504
CID 118663976

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol (CID 118663835) is [6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol is COCCOc1cc(-c2cccc([C@@H](N)CF)n2)cc2c1cnn2-c1cccc(CO)n1.
What is the InChIKey of [6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is OYQFBXBUPYMUEU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-31-8-9-32-22-11-15(19-5-3-6-20(28-19)18(25)12-24)10-21-17(22)13-26-29(21)23-7-2-4-16(14-30)27-23/h2-7,10-11,13,18,30H,8-9,12,14,25H2,1H3/t18-/m0/s1.
What are the key properties of [6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 437.48 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1R)-1-amino-2-fluoroethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).