[(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone

C31H25FN4O — CID 168960755

IUPAC[(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3ccccc3)C[C@H]1[C@H]2c1ccccn1
InChIInChI=1S/C31H25FN4O/c1-20-15-28-22(17-34-36(28)24-12-10-23(32)11-13-24)16-25(20)31-19-35(30(37)21-7-3-2-4-8-21)18-26(31)29(31)27-9-5-6-14-33-27/h2-17,26,29H,18-19H2,1H3/t26-,29-,31+/m0/s1
InChIKeyNEVMPADDXCATMK-VTRIWSNPSA-N
MW488.57 g/mol
LogP5.68
Rot. Bonds4

About [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone

[(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone (PubChem CID 168960755) has the molecular formula C31H25FN4O and a molecular weight of 488.57 g/mol. Its IUPAC name is [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone
PubChem CID168960755
Molecular FormulaC31H25FN4O
Molecular Weight488.57 g/mol
Exact Mass488.20
IUPAC Name[(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3ccccc3)C[C@H]1[C@H]2c1ccccn1
InChIInChI=1S/C31H25FN4O/c1-20-15-28-22(17-34-36(28)24-12-10-23(32)11-13-24)16-25(20)31-19-35(30(37)21-7-3-2-4-8-21)18-26(31)29(31)27-9-5-6-14-33-27/h2-17,26,29H,18-19H2,1H3/t26-,29-,31+/m0/s1
InChIKeyNEVMPADDXCATMK-VTRIWSNPSA-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 [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone 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 [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone?
The IUPAC name of [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone (CID 168960755) is [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone.
What is the SMILES notation for [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone?
The canonical SMILES for [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3ccccc3)C[C@H]1[C@H]2c1ccccn1.
What is the InChIKey of [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone?
The InChIKey is NEVMPADDXCATMK-VTRIWSNPSA-N. The full InChI is InChI=1S/C31H25FN4O/c1-20-15-28-22(17-34-36(28)24-12-10-23(32)11-13-24)16-25(20)31-19-35(30(37)21-7-3-2-4-8-21)18-26(31)29(31)27-9-5-6-14-33-27/h2-17,26,29H,18-19H2,1H3/t26-,29-,31+/m0/s1.
What are the key properties of [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone?
[(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone 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 [(1S,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-phenylmethanone is sourced from PubChem (CID 168960755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).