N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide

C22H25ClF3N5O2 — CID 135375561

IUPACN-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)C2)c1
InChIInChI=1S/C22H25ClF3N5O2/c1-15(32)28(2)18-10-27-31(12-18)20(33)30-8-6-21(14-30)5-7-29(13-21)11-16-9-17(23)3-4-19(16)22(24,25)26/h3-4,9-10,12H,5-8,11,13-14H2,1-2H3
InChIKeyKBZRPNBJDXILRN-UHFFFAOYSA-N
MW483.92 g/mol
LogP4.10
Rot. Bonds3

About N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide

N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide (PubChem CID 135375561) has the molecular formula C22H25ClF3N5O2 and a molecular weight of 483.92 g/mol. Its IUPAC name is N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
PubChem CID135375561
Molecular FormulaC22H25ClF3N5O2
Molecular Weight483.92 g/mol
Exact Mass483.16
IUPAC NameN-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)C2)c1
InChIInChI=1S/C22H25ClF3N5O2/c1-15(32)28(2)18-10-27-31(12-18)20(33)30-8-6-21(14-30)5-7-29(13-21)11-16-9-17(23)3-4-19(16)22(24,25)26/h3-4,9-10,12H,5-8,11,13-14H2,1-2H3
InChIKeyKBZRPNBJDXILRN-UHFFFAOYSA-N
XLogP4.10
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.92
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide with MolForge

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Related Compounds

US10323038, Example 64
CID 135375499
US10323038, Example 14
CID 135375500
US10323038, Example 98
CID 135375605
US10323038, Example 182
CID 135375618
US10323038, Example 275
CID 135375634
US10323038, Example 122
CID 135375641
US10323038, Example 58
CID 135375662
US10323038, Example 214
CID 135375664
US10323038, Example 178
CID 135375665
US10323038, Example 180
CID 135375667
US10323038, Example 246
CID 135375696
US10323038, Example 44
CID 135375738

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide (CID 135375561) is N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(F)(F)F)C3)C2)c1.
What is the InChIKey of N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The InChIKey is KBZRPNBJDXILRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF3N5O2/c1-15(32)28(2)18-10-27-31(12-18)20(33)30-8-6-21(14-30)5-7-29(13-21)11-16-9-17(23)3-4-19(16)22(24,25)26/h3-4,9-10,12H,5-8,11,13-14H2,1-2H3.
What are the key properties of N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide?
N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide has a molecular weight of 483.92 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 135375561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).