3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol

C23H23N5O3 — CID 156530557

IUPAC3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol
SMILESCOc1cccc(-n2ncc3ccc(-c4cccc([C@@](N)(O)C5CC(O)C5)n4)cc32)n1
InChIInChI=1S/C23H23N5O3/c1-31-22-7-3-6-21(27-22)28-19-10-14(8-9-15(19)13-25-28)18-4-2-5-20(26-18)23(24,30)16-11-17(29)12-16/h2-10,13,16-17,29-30H,11-12,24H2,1H3/t16?,17?,23-/m0/s1
InChIKeyKLKBNAOPXLBYEN-OCJFHSIUSA-N
MW417.47 g/mol
LogP2.37
Rot. Bonds5

About 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol

3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol (PubChem CID 156530557) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol
PubChem CID156530557
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol
SMILESCOc1cccc(-n2ncc3ccc(-c4cccc([C@@](N)(O)C5CC(O)C5)n4)cc32)n1
InChIInChI=1S/C23H23N5O3/c1-31-22-7-3-6-21(27-22)28-19-10-14(8-9-15(19)13-25-28)18-4-2-5-20(26-18)23(24,30)16-11-17(29)12-16/h2-10,13,16-17,29-30H,11-12,24H2,1H3/t16?,17?,23-/m0/s1
InChIKeyKLKBNAOPXLBYEN-OCJFHSIUSA-N
XLogP2.37
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-(6-Methoxy-3-pyridyl)-5-(1-methylindazol-6-yl)pyridin-2-amine
CID 71042526
US10246456, Example 510
CID 118663577
US10246456, Example 564
CID 118663642
US10246456, Example 579
CID 118663645
US10246456, Example 437
CID 118663658
US10577367, Example 452
CID 118663769
US10246456, Example 514
CID 118663777
US10246456, Example 523
CID 118663802
US10246456, Example 545
CID 118663832
US10246456, Example 594
CID 118663835
US10246456, Example 598
CID 118664016
US10246456, Example 526
CID 118664083

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol (CID 156530557) is 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol is COc1cccc(-n2ncc3ccc(-c4cccc([C@@](N)(O)C5CC(O)C5)n4)cc32)n1.
What is the InChIKey of 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol?
The InChIKey is KLKBNAOPXLBYEN-OCJFHSIUSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-31-22-7-3-6-21(27-22)28-19-10-14(8-9-15(19)13-25-28)18-4-2-5-20(26-18)23(24,30)16-11-17(29)12-16/h2-10,13,16-17,29-30H,11-12,24H2,1H3/t16?,17?,23-/m0/s1.
What are the key properties of 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol?
3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol has a molecular weight of 417.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-amino-hydroxy-[6-[1-(6-methoxy-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 156530557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).