5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C25H27F4N7O2S — CID 170220225

IUPAC5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCCc1cc(NC(=O)c2c(C3CC4CN(C(=O)Nc5ncc(C(F)(F)F)s5)CC4C3)nn(C)c2N)ccc1F
InChIInChI=1S/C25H27F4N7O2S/c1-3-12-8-16(4-5-17(12)26)32-22(37)19-20(34-35(2)21(19)30)13-6-14-10-36(11-15(14)7-13)24(38)33-23-31-9-18(39-23)25(27,28)29/h4-5,8-9,13-15H,3,6-7,10-11,30H2,1-2H3,(H,32,37)(H,31,33,38)
InChIKeyVERBDPALRFPIBD-UHFFFAOYSA-N
MW565.60 g/mol
LogP5.09
Rot. Bonds5

About 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 170220225) has the molecular formula C25H27F4N7O2S and a molecular weight of 565.60 g/mol. Its IUPAC name is 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID170220225
Molecular FormulaC25H27F4N7O2S
Molecular Weight565.60 g/mol
Exact Mass565.19
IUPAC Name5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCCc1cc(NC(=O)c2c(C3CC4CN(C(=O)Nc5ncc(C(F)(F)F)s5)CC4C3)nn(C)c2N)ccc1F
InChIInChI=1S/C25H27F4N7O2S/c1-3-12-8-16(4-5-17(12)26)32-22(37)19-20(34-35(2)21(19)30)13-6-14-10-36(11-15(14)7-13)24(38)33-23-31-9-18(39-23)25(27,28)29/h4-5,8-9,13-15H,3,6-7,10-11,30H2,1-2H3,(H,32,37)(H,31,33,38)
InChIKeyVERBDPALRFPIBD-UHFFFAOYSA-N
XLogP5.09
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.60
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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Related Compounds

5-amino-N-(3-chloro-4-fluorophenyl)-3-[5-hydroxy-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]-1-methylpyrazole-4-carboxamide
CID 156897504
5-amino-N-(3-chloro-4-fluorophenyl)-1-methyl-3-[5-(trifluoromethoxy)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]pyrazole-4-carboxamide
CID 150816013
5-amino-N-(3-chloro-4-fluorophenyl)-1-methyl-3-(6-oxo-3-bicyclo[3.2.0]heptanyl)pyrazole-4-carboxamide
CID 166793571
5-amino-3-[5-(azetidin-1-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 166593095
5-amino-N-(3-chloro-4-fluorophenyl)-3-[5-(5-fluoro-2-pyridinyl)-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]-1-methylpyrazole-4-carboxamide
CID 166810032
5-amino-N-(3-chloro-4-fluorophenyl)-3-[5-hydroxy-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]-1-methylpyrazole-4-carboxamide
CID 166810036
5-amino-3-[5-[benzenesulfonyl(difluoro)methyl]-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 163875798
5-amino-N-(3-chloro-4-fluorophenyl)-3-(5-hydroxy-4-phenyl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-1-methylpyrazole-4-carboxamide
CID 166810163
5-amino-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-5-phenyl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-1-methylpyrazole-4-carboxamide
CID 156897590
3-[(2R,3aR)-4,5-dihydroxy-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]-5-amino-N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 167844725
4-[5-amino-4-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]cyclohexane-1-carboxylic acid
CID 166808577
5-amino-N-(3-chloro-4-fluorophenyl)-3-[5-[[(2,4-difluorophenyl)sulfonylamino]methyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-methylpyrazole-4-carboxamide
CID 166810222

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 170220225) is 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CCc1cc(NC(=O)c2c(C3CC4CN(C(=O)Nc5ncc(C(F)(F)F)s5)CC4C3)nn(C)c2N)ccc1F.
What is the InChIKey of 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is VERBDPALRFPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N7O2S/c1-3-12-8-16(4-5-17(12)26)32-22(37)19-20(34-35(2)21(19)30)13-6-14-10-36(11-15(14)7-13)24(38)33-23-31-9-18(39-23)25(27,28)29/h4-5,8-9,13-15H,3,6-7,10-11,30H2,1-2H3,(H,32,37)(H,31,33,38).
What are the key properties of 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 565.60 g/mol, XLogP of 5.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-4-[(3-ethyl-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 170220225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).