2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide

C23H24F3N3O — CID 153395234

IUPAC2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide
SMILESO=C(Cc1ccc(C2CC2)cc1)N[C@H]1CN(c2ccc(C(F)(F)F)nc2)CC12CC2
InChIInChI=1S/C23H24F3N3O/c24-23(25,26)19-8-7-18(12-27-19)29-13-20(22(14-29)9-10-22)28-21(30)11-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,12,17,20H,5-6,9-11,13-14H2,(H,28,30)/t20-/m0/s1
InChIKeyZCZFCKLLZQNWKY-FQEVSTJZSA-N
MW415.46 g/mol
LogP4.31
Rot. Bonds5

About 2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide

2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide (PubChem CID 153395234) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide
PubChem CID153395234
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide
SMILESO=C(Cc1ccc(C2CC2)cc1)N[C@H]1CN(c2ccc(C(F)(F)F)nc2)CC12CC2
InChIInChI=1S/C23H24F3N3O/c24-23(25,26)19-8-7-18(12-27-19)29-13-20(22(14-29)9-10-22)28-21(30)11-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,12,17,20H,5-6,9-11,13-14H2,(H,28,30)/t20-/m0/s1
InChIKeyZCZFCKLLZQNWKY-FQEVSTJZSA-N
XLogP4.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide (CID 153395234) is 2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide is O=C(Cc1ccc(C2CC2)cc1)N[C@H]1CN(c2ccc(C(F)(F)F)nc2)CC12CC2.
What is the InChIKey of 2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide?
The InChIKey is ZCZFCKLLZQNWKY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24F3N3O/c24-23(25,26)19-8-7-18(12-27-19)29-13-20(22(14-29)9-10-22)28-21(30)11-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,12,17,20H,5-6,9-11,13-14H2,(H,28,30)/t20-/m0/s1.
What are the key properties of 2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide?
2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide has a molecular weight of 415.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide is sourced from PubChem (CID 153395234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).