2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol

C25H29FN4O — CID 138550436

IUPAC2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
SMILESCC1(c2ccc3cnn(-c4cc(F)nc(N5CC6(C(C)(C)O)CC5C6)c4)c3c2)CCC1
InChIInChI=1S/C25H29FN4O/c1-23(2,31)25-12-19(13-25)29(15-25)22-11-18(10-21(26)28-22)30-20-9-17(24(3)7-4-8-24)6-5-16(20)14-27-30/h5-6,9-11,14,19,31H,4,7-8,12-13,15H2,1-3H3
InChIKeyJAESDXXEOSGBHH-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.74
Rot. Bonds4

About 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol

2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol (PubChem CID 138550436) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
PubChem CID138550436
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol
SMILESCC1(c2ccc3cnn(-c4cc(F)nc(N5CC6(C(C)(C)O)CC5C6)c4)c3c2)CCC1
InChIInChI=1S/C25H29FN4O/c1-23(2,31)25-12-19(13-25)29(15-25)22-11-18(10-21(26)28-22)30-20-9-17(24(3)7-4-8-24)6-5-16(20)14-27-30/h5-6,9-11,14,19,31H,4,7-8,12-13,15H2,1-3H3
InChIKeyJAESDXXEOSGBHH-UHFFFAOYSA-N
XLogP4.74
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol (CID 138550436) is 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol is CC1(c2ccc3cnn(-c4cc(F)nc(N5CC6(C(C)(C)O)CC5C6)c4)c3c2)CCC1.
What is the InChIKey of 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol?
The InChIKey is JAESDXXEOSGBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-23(2,31)25-12-19(13-25)29(15-25)22-11-18(10-21(26)28-22)30-20-9-17(24(3)7-4-8-24)6-5-16(20)14-27-30/h5-6,9-11,14,19,31H,4,7-8,12-13,15H2,1-3H3.
What are the key properties of 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol?
2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol has a molecular weight of 420.53 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-fluoro-4-[6-(1-methylcyclobutyl)indazol-1-yl]-2-pyridinyl]-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol is sourced from PubChem (CID 138550436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).