3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide

C24H22F3N5OS — CID 55708322

IUPAC3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc12
InChIInChI=1S/C24H22F3N5OS/c1-15-19-13-20(34-23(19)32(30-15)18-5-3-2-4-6-18)22(33)29-17-9-11-31(12-10-17)21-8-7-16(14-28-21)24(25,26)27/h2-8,13-14,17H,9-12H2,1H3,(H,29,33)
InChIKeyYATWEYODHWQSDR-UHFFFAOYSA-N
MW485.54 g/mol
LogP5.21
Rot. Bonds4

About 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55708322) has the molecular formula C24H22F3N5OS and a molecular weight of 485.54 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55708322
Molecular FormulaC24H22F3N5OS
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC Name3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc12
InChIInChI=1S/C24H22F3N5OS/c1-15-19-13-20(34-23(19)32(30-15)18-5-3-2-4-6-18)22(33)29-17-9-11-31(12-10-17)21-8-7-16(14-28-21)24(25,26)27/h2-8,13-14,17H,9-12H2,1H3,(H,29,33)
InChIKeyYATWEYODHWQSDR-UHFFFAOYSA-N
XLogP5.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
4,5-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46485755
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 48505983
methyl 4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 66819290
N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819473
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4015786
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
3-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819147
N-[4-(4-methoxypiperidin-1-yl)cyclohexyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819697
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide (CID 55708322) is 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc12.
What is the InChIKey of 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is YATWEYODHWQSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5OS/c1-15-19-13-20(34-23(19)32(30-15)18-5-3-2-4-6-18)22(33)29-17-9-11-31(12-10-17)21-8-7-16(14-28-21)24(25,26)27/h2-8,13-14,17H,9-12H2,1H3,(H,29,33).
What are the key properties of 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55708322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).