N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H22F3N5O2S — CID 167104472

IUPACN-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CN4CCC(OC(F)(F)F)CC4)s3)n2n1)C1CC1
InChIInChI=1S/C21H22F3N5O2S/c22-21(23,24)31-14-8-10-28(11-9-14)12-15-6-7-17(32-15)16-2-1-3-18-25-20(27-29(16)18)26-19(30)13-4-5-13/h1-3,6-7,13-14H,4-5,8-12H2,(H,26,27,30)
InChIKeyCLFOKBIHUFQYPI-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.31
Rot. Bonds6

About N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 167104472) has the molecular formula C21H22F3N5O2S and a molecular weight of 465.50 g/mol. Its IUPAC name is N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID167104472
Molecular FormulaC21H22F3N5O2S
Molecular Weight465.50 g/mol
Exact Mass465.14
IUPAC NameN-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CN4CCC(OC(F)(F)F)CC4)s3)n2n1)C1CC1
InChIInChI=1S/C21H22F3N5O2S/c22-21(23,24)31-14-8-10-28(11-9-14)12-15-6-7-17(32-15)16-2-1-3-18-25-20(27-29(16)18)26-19(30)13-4-5-13/h1-3,6-7,13-14H,4-5,8-12H2,(H,26,27,30)
InChIKeyCLFOKBIHUFQYPI-UHFFFAOYSA-N
XLogP4.31
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 167104472) is N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(CN4CCC(OC(F)(F)F)CC4)s3)n2n1)C1CC1.
What is the InChIKey of N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is CLFOKBIHUFQYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2S/c22-21(23,24)31-14-8-10-28(11-9-14)12-15-6-7-17(32-15)16-2-1-3-18-25-20(27-29(16)18)26-19(30)13-4-5-13/h1-3,6-7,13-14H,4-5,8-12H2,(H,26,27,30).
What are the key properties of N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 465.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167104472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).