trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide

C34H32FN3O — CID 130306928

IUPACtrans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1cc(F)ccc1N(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc2cnn(Cc3ccccc3)c2c1
InChIInChI=1S/C34H32FN3O/c1-23(2)29-18-28(35)15-16-32(29)37(21-24-9-5-3-6-10-24)34(39)31-19-30(31)26-13-14-27-20-36-38(33(27)17-26)22-25-11-7-4-8-12-25/h3-18,20,23,30-31H,19,21-22H2,1-2H3/t30-,31+/m0/s1
InChIKeyNWFXOLSBSWLUQN-IOWSJCHKSA-N
MW517.65 g/mol
LogP7.68
Rot. Bonds8

About trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 130306928) has the molecular formula C34H32FN3O and a molecular weight of 517.65 g/mol. Its IUPAC name is trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID130306928
Molecular FormulaC34H32FN3O
Molecular Weight517.65 g/mol
Exact Mass517.25
IUPAC Nametrans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1cc(F)ccc1N(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc2cnn(Cc3ccccc3)c2c1
InChIInChI=1S/C34H32FN3O/c1-23(2)29-18-28(35)15-16-32(29)37(21-24-9-5-3-6-10-24)34(39)31-19-30(31)26-13-14-27-20-36-38(33(27)17-26)22-25-11-7-4-8-12-25/h3-18,20,23,30-31H,19,21-22H2,1-2H3/t30-,31+/m0/s1
InChIKeyNWFXOLSBSWLUQN-IOWSJCHKSA-N
XLogP7.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.65
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 130306928) is trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide is CC(C)c1cc(F)ccc1N(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccc2cnn(Cc3ccccc3)c2c1.
What is the InChIKey of trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is NWFXOLSBSWLUQN-IOWSJCHKSA-N. The full InChI is InChI=1S/C34H32FN3O/c1-23(2)29-18-28(35)15-16-32(29)37(21-24-9-5-3-6-10-24)34(39)31-19-30(31)26-13-14-27-20-36-38(33(27)17-26)22-25-11-7-4-8-12-25/h3-18,20,23,30-31H,19,21-22H2,1-2H3/t30-,31+/m0/s1.
What are the key properties of trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 517.65 g/mol, XLogP of 7.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-benzyl-2-(1-benzylindazol-6-yl)-N-(4-fluoro-2-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 130306928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).