trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine

C42H43ClF8N10O4S2 — CID 167605717

IUPACtrans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine
SMILESFC(F)(F)OC1CCNCC1.O=C(Nc1nc2cccc(-c3ccc(CCl)s3)n2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCC(OC(F)(F)F)CC4)s3)n2n1)[C@H]1C[C@@H]1F
InChIInChI=1S/C21H21F4N5O2S.C15H12ClFN4OS.C6H10F3NO/c22-15-10-14(15)19(31)27-20-26-18-3-1-2-16(30(18)28-20)17-5-4-13(33-17)11-29-8-6-12(7-9-29)32-21(23,24)25;16-7-8-4-5-12(23-8)11-2-1-3-13-18-15(20-21(11)13)19-14(22)9-6-10(9)17;7-6(8,9)11-5-1-3-10-4-2-5/h1-5,12,14-15H,6-11H2,(H,27,28,31);1-5,9-10H,6-7H2,(H,19,20,22);5,10H,1-4H2/t14-,15-;9-,10-;/m00./s1
InChIKeyKIVAWSKPVUVHPV-QWTWGBOESA-N
MW1003.44 g/mol
LogP9.02
Rot. Bonds11

About trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine

trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine (PubChem CID 167605717) has the molecular formula C42H43ClF8N10O4S2 and a molecular weight of 1003.44 g/mol. Its IUPAC name is trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine
PubChem CID167605717
Molecular FormulaC42H43ClF8N10O4S2
Molecular Weight1003.44 g/mol
Exact Mass1002.25
IUPAC Nametrans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine
SMILESFC(F)(F)OC1CCNCC1.O=C(Nc1nc2cccc(-c3ccc(CCl)s3)n2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCC(OC(F)(F)F)CC4)s3)n2n1)[C@H]1C[C@@H]1F
InChIInChI=1S/C21H21F4N5O2S.C15H12ClFN4OS.C6H10F3NO/c22-15-10-14(15)19(31)27-20-26-18-3-1-2-16(30(18)28-20)17-5-4-13(33-17)11-29-8-6-12(7-9-29)32-21(23,24)25;16-7-8-4-5-12(23-8)11-2-1-3-13-18-15(20-21(11)13)19-14(22)9-6-10(9)17;7-6(8,9)11-5-1-3-10-4-2-5/h1-5,12,14-15H,6-11H2,(H,27,28,31);1-5,9-10H,6-7H2,(H,19,20,22);5,10H,1-4H2/t14-,15-;9-,10-;/m00./s1
InChIKeyKIVAWSKPVUVHPV-QWTWGBOESA-N
XLogP9.02
TPSA152.31 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001003.44
LogP ≤ 59.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 156063068
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
cis-(1S,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-1-methylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylcyclopropane-1-carboxamide
CID 167586403
4,4-difluoropiperidine;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 167620380
N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 167703380
N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide
CID 167536963
cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide
CID 167585168

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine?
The IUPAC name of trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine (CID 167605717) is trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine.
What is the SMILES notation for trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine?
The canonical SMILES for trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine is FC(F)(F)OC1CCNCC1.O=C(Nc1nc2cccc(-c3ccc(CCl)s3)n2n1)[C@H]1C[C@@H]1F.O=C(Nc1nc2cccc(-c3ccc(CN4CCC(OC(F)(F)F)CC4)s3)n2n1)[C@H]1C[C@@H]1F.
What is the InChIKey of trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine?
The InChIKey is KIVAWSKPVUVHPV-QWTWGBOESA-N. The full InChI is InChI=1S/C21H21F4N5O2S.C15H12ClFN4OS.C6H10F3NO/c22-15-10-14(15)19(31)27-20-26-18-3-1-2-16(30(18)28-20)17-5-4-13(33-17)11-29-8-6-12(7-9-29)32-21(23,24)25;16-7-8-4-5-12(23-8)11-2-1-3-13-18-15(20-21(11)13)19-14(22)9-6-10(9)17;7-6(8,9)11-5-1-3-10-4-2-5/h1-5,12,14-15H,6-11H2,(H,27,28,31);1-5,9-10H,6-7H2,(H,19,20,22);5,10H,1-4H2/t14-,15-;9-,10-;/m00./s1.
What are the key properties of trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine?
trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine has a molecular weight of 1003.44 g/mol, XLogP of 9.02, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-2-fluoro-N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 167605717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).