6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile

C32H24FN5O — CID 168960748

IUPAC6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3ccc(C#N)cn3)C[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C32H24FN5O/c1-20-13-29-23(17-36-38(29)25-10-8-24(33)9-11-25)14-26(20)32-19-37(31(39)28-12-7-21(15-34)16-35-28)18-27(32)30(32)22-5-3-2-4-6-22/h2-14,16-17,27,30H,18-19H2,1H3/t27-,30-,32+/m0/s1
InChIKeyVSDJSAXRVZMETE-OCUZPWFOSA-N
MW513.58 g/mol
LogP5.55
Rot. Bonds4

About 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile

6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile (PubChem CID 168960748) has the molecular formula C32H24FN5O and a molecular weight of 513.58 g/mol. Its IUPAC name is 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile
PubChem CID168960748
Molecular FormulaC32H24FN5O
Molecular Weight513.58 g/mol
Exact Mass513.20
IUPAC Name6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3ccc(C#N)cn3)C[C@H]1[C@@H]2c1ccccc1
InChIInChI=1S/C32H24FN5O/c1-20-13-29-23(17-36-38(29)25-10-8-24(33)9-11-25)14-26(20)32-19-37(31(39)28-12-7-21(15-34)16-35-28)18-27(32)30(32)22-5-3-2-4-6-22/h2-14,16-17,27,30H,18-19H2,1H3/t27-,30-,32+/m0/s1
InChIKeyVSDJSAXRVZMETE-OCUZPWFOSA-N
XLogP5.55
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.58
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile (CID 168960748) is 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1[C@]12CN(C(=O)c3ccc(C#N)cn3)C[C@H]1[C@@H]2c1ccccc1.
What is the InChIKey of 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile?
The InChIKey is VSDJSAXRVZMETE-OCUZPWFOSA-N. The full InChI is InChI=1S/C32H24FN5O/c1-20-13-29-23(17-36-38(29)25-10-8-24(33)9-11-25)14-26(20)32-19-37(31(39)28-12-7-21(15-34)16-35-28)18-27(32)30(32)22-5-3-2-4-6-22/h2-14,16-17,27,30H,18-19H2,1H3/t27-,30-,32+/m0/s1.
What are the key properties of 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile?
6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile has a molecular weight of 513.58 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,5S,6R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-6-phenyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 168960748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).