[5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone

C25H25F3N6O — CID 162591054

IUPAC[5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCC3(CC3)C[C@@]23CC3Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C25H25F3N6O/c1-16-2-4-19(34-30-9-10-31-34)18(12-16)22(35)33-11-8-23(6-7-23)15-24(33)13-20(24)32-21-5-3-17(14-29-21)25(26,27)28/h2-5,9-10,12,14,20H,6-8,11,13,15H2,1H3,(H,29,32)/t20?,24-/m1/s1
InChIKeyWHJQFAIBHZEQES-PIFIWZBESA-N
MW482.51 g/mol
LogP4.63
Rot. Bonds4

About [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone

[5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone (PubChem CID 162591054) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone
PubChem CID162591054
Molecular FormulaC25H25F3N6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Name[5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCC3(CC3)C[C@@]23CC3Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C25H25F3N6O/c1-16-2-4-19(34-30-9-10-31-34)18(12-16)22(35)33-11-8-23(6-7-23)15-24(33)13-20(24)32-21-5-3-17(14-29-21)25(26,27)28/h2-5,9-10,12,14,20H,6-8,11,13,15H2,1H3,(H,29,32)/t20?,24-/m1/s1
InChIKeyWHJQFAIBHZEQES-PIFIWZBESA-N
XLogP4.63
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone with MolForge

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Related Compounds

[4-methyl-2-(triazol-2-yl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 134503161
[(2R)-4,4-difluoro-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 146878558
[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271016
[5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 147393039
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 134267096
[2-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 123314919
[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271014
[(2R,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271584
(5-methyl-2-pyrimidin-2-ylphenyl)-[8-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methanone
CID 66848761
[5-methyl-2-(4-methyltriazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025841
[5-methyl-2-(4-methyltriazol-2-yl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123640803
[(2R)-3,3-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 118865510

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone?
The IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone (CID 162591054) is [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone.
What is the SMILES notation for [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone?
The canonical SMILES for [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCC3(CC3)C[C@@]23CC3Nc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone?
The InChIKey is WHJQFAIBHZEQES-PIFIWZBESA-N. The full InChI is InChI=1S/C25H25F3N6O/c1-16-2-4-19(34-30-9-10-31-34)18(12-16)22(35)33-11-8-23(6-7-23)15-24(33)13-20(24)32-21-5-3-17(14-29-21)25(26,27)28/h2-5,9-10,12,14,20H,6-8,11,13,15H2,1H3,(H,29,32)/t20?,24-/m1/s1.
What are the key properties of [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone?
[5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone has a molecular weight of 482.51 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(triazol-2-yl)phenyl]-[(5S)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-8-azadispiro[2.1.25.33]decan-8-yl]methanone is sourced from PubChem (CID 162591054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).