1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide

C23H21F4N7O — CID 71537647

IUPAC1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCN(c2cncc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H21F4N7O/c24-16-1-3-17(4-2-16)31-21-19(20(29)35)14-34(32-21)22(5-8-28)6-9-33(10-7-22)18-11-15(12-30-13-18)23(25,26)27/h1-4,11-14H,5-7,9-10H2,(H2,29,35)(H,31,32)
InChIKeyQFAZMYOHCSISHN-UHFFFAOYSA-N
MW487.46 g/mol
LogP4.19
Rot. Bonds6

About 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide

1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide (PubChem CID 71537647) has the molecular formula C23H21F4N7O and a molecular weight of 487.46 g/mol. Its IUPAC name is 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
PubChem CID71537647
Molecular FormulaC23H21F4N7O
Molecular Weight487.46 g/mol
Exact Mass487.17
IUPAC Name1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCN(c2cncc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H21F4N7O/c24-16-1-3-17(4-2-16)31-21-19(20(29)35)14-34(32-21)22(5-8-28)6-9-33(10-7-22)18-11-15(12-30-13-18)23(25,26)27/h1-4,11-14H,5-7,9-10H2,(H2,29,35)(H,31,32)
InChIKeyQFAZMYOHCSISHN-UHFFFAOYSA-N
XLogP4.19
TPSA112.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide 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

8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
(11R,15S)-5-anilino-8-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 11989102
3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 53482432
3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 53482435
2,2,2-trifluoroethyl 4-[4-carbamoyl-3-[[6-(1H-pyrazol-4-yl)pyridin-3-yl]amino]pyrazol-1-yl]-4-(cyanomethyl)piperidine-1-carboxylate
CID 71506864
1-[4-(Cyanomethyl)-1-(3-fluorophenyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71534524
1-[4-(Cyanomethyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71534525
1-[4-(Cyanomethyl)-1-pyridin-3-ylpiperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71534526
1-[4-(Cyanomethyl)-1-(6-fluoro-5-methyl-3-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71534527
1-[4-(Cyanomethyl)-1-(4-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71534528
Tert-butyl 4-[4-carbamoyl-3-[(6-cyano-3-pyridinyl)amino]pyrazol-1-yl]-4-(cyanomethyl)piperidine-1-carboxylate
CID 71535120
1-[4-(Cyanomethyl)-1-(4-fluoro-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71535410

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide (CID 71537647) is 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide is N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCN(c2cncc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The InChIKey is QFAZMYOHCSISHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N7O/c24-16-1-3-17(4-2-16)31-21-19(20(29)35)14-34(32-21)22(5-8-28)6-9-33(10-7-22)18-11-15(12-30-13-18)23(25,26)27/h1-4,11-14H,5-7,9-10H2,(H2,29,35)(H,31,32).
What are the key properties of 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide has a molecular weight of 487.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyanomethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide is sourced from PubChem (CID 71537647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).