[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone

C31H25FN4O — CID 168960978

IUPAC[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3cccnc3)C[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C31H25FN4O/c1-20-14-28-23(17-34-36(28)25-11-9-24(32)10-12-25)15-26(20)31-19-35(30(37)22-8-5-13-33-16-22)18-27(31)29(31)21-6-3-2-4-7-21/h2-17,27,29H,18-19H2,1H3/t27-,29-,31+/m0/s1
InChIKeyPQDUWDRPTFBHNF-DEDOGFMKSA-N
MW488.57 g/mol
LogP5.68
Rot. Bonds4

About [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone

[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone (PubChem CID 168960978) has the molecular formula C31H25FN4O and a molecular weight of 488.57 g/mol. Its IUPAC name is [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone
PubChem CID168960978
Molecular FormulaC31H25FN4O
Molecular Weight488.57 g/mol
Exact Mass488.20
IUPAC Name[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3cccnc3)C[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C31H25FN4O/c1-20-14-28-23(17-34-36(28)25-11-9-24(32)10-12-25)15-26(20)31-19-35(30(37)22-8-5-13-33-16-22)18-27(31)29(31)21-6-3-2-4-7-21/h2-17,27,29H,18-19H2,1H3/t27-,29-,31+/m0/s1
InChIKeyPQDUWDRPTFBHNF-DEDOGFMKSA-N
XLogP5.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone 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 [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone (CID 168960978) is [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3cccnc3)C[C@H]1[C@@H]2c1ccccc1.
What is the InChIKey of [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone?
The InChIKey is PQDUWDRPTFBHNF-DEDOGFMKSA-N. The full InChI is InChI=1S/C31H25FN4O/c1-20-14-28-23(17-34-36(28)25-11-9-24(32)10-12-25)15-26(20)31-19-35(30(37)22-8-5-13-33-16-22)18-27(31)29(31)21-6-3-2-4-7-21/h2-17,27,29H,18-19H2,1H3/t27-,29-,31+/m0/s1.
What are the key properties of [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone?
[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone has a molecular weight of 488.57 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 168960978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).