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

C32H25F2N3O — CID 168960759

IUPAC(2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3ccccc3F)C[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C32H25F2N3O/c1-20-15-29-22(17-35-37(29)24-13-11-23(33)12-14-24)16-26(20)32-19-36(31(38)25-9-5-6-10-28(25)34)18-27(32)30(32)21-7-3-2-4-8-21/h2-17,27,30H,18-19H2,1H3/t27-,30-,32+/m0/s1
InChIKeyXXQSAXSFVOPBBN-OCUZPWFOSA-N
MW505.57 g/mol
LogP6.42
Rot. Bonds4

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

(2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 168960759) has the molecular formula C32H25F2N3O and a molecular weight of 505.57 g/mol. Its IUPAC name is (2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID168960759
Molecular FormulaC32H25F2N3O
Molecular Weight505.57 g/mol
Exact Mass505.20
IUPAC Name(2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3ccccc3F)C[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C32H25F2N3O/c1-20-15-29-22(17-35-37(29)24-13-11-23(33)12-14-24)16-26(20)32-19-36(31(38)25-9-5-6-10-28(25)34)18-27(32)30(32)21-7-3-2-4-8-21/h2-17,27,30H,18-19H2,1H3/t27-,30-,32+/m0/s1
InChIKeyXXQSAXSFVOPBBN-OCUZPWFOSA-N
XLogP6.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.57
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 168960759) is (2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3ccccc3F)C[C@H]1[C@@H]2c1ccccc1.
What is the InChIKey of (2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is XXQSAXSFVOPBBN-OCUZPWFOSA-N. The full InChI is InChI=1S/C32H25F2N3O/c1-20-15-29-22(17-35-37(29)24-13-11-23(33)12-14-24)16-26(20)32-19-36(31(38)25-9-5-6-10-28(25)34)18-27(32)30(32)21-7-3-2-4-8-21/h2-17,27,30H,18-19H2,1H3/t27-,30-,32+/m0/s1.
What are the key properties of (2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
(2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 505.57 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 168960759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).