3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide

C71H54Cl2F12N18O4S — CID 162096706

IUPAC3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnco1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cncs1.[H]/N=C(\N)c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1.[H]/N=C(\NC(=O)C(/C=C\C=N\[H])=N/[H])c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16ClF3N6O.C19H13F3N4O2.C19H13F3N4OS.C14H12ClF3N4/c20-13-9-27-10-15(16(13)17(26)29-18(30)14(25)2-1-7-24)28-8-11-3-5-12(6-4-11)19(21,22)23;2*20-19(21,22)13-7-5-12(6-8-13)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-23-11-28-16;15-10-6-21-7-11(12(10)13(19)20)22-5-8-1-3-9(4-2-8)14(16,17)18/h1-7,9-10,24-25,28H,8H2,(H2,26,29,30);2*1-9,11H,10H2,(H,24,25,27);1-4,6-7,22H,5H2,(H3,19,20)/b2-1-,24-7+,25-14+;;;
InChIKeyZEIOHYISDIRYSX-HWTUBMRESA-N
MW1554.28 g/mol
LogP16.84
Rot. Bonds19

About 3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide

3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 162096706) has the molecular formula C71H54Cl2F12N18O4S and a molecular weight of 1554.28 g/mol. Its IUPAC name is 3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID162096706
Molecular FormulaC71H54Cl2F12N18O4S
Molecular Weight1554.28 g/mol
Exact Mass1552.35
IUPAC Name3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnco1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cncs1.[H]/N=C(\N)c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1.[H]/N=C(\NC(=O)C(/C=C\C=N\[H])=N/[H])c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16ClF3N6O.C19H13F3N4O2.C19H13F3N4OS.C14H12ClF3N4/c20-13-9-27-10-15(16(13)17(26)29-18(30)14(25)2-1-7-24)28-8-11-3-5-12(6-4-11)19(21,22)23;2*20-19(21,22)13-7-5-12(6-8-13)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-23-11-28-16;15-10-6-21-7-11(12(10)13(19)20)22-5-8-1-3-9(4-2-8)14(16,17)18/h1-7,9-10,24-25,28H,8H2,(H2,26,29,30);2*1-9,11H,10H2,(H,24,25,27);1-4,6-7,22H,5H2,(H3,19,20)/b2-1-,24-7+,25-14+;;;
InChIKeyZEIOHYISDIRYSX-HWTUBMRESA-N
XLogP16.84
TPSA333.12 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001554.28
LogP ≤ 516.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 158001466
4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 158743022
2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 160240514

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide (CID 162096706) is 3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnco1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cncs1.[H]/N=C(\N)c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1.[H]/N=C(\NC(=O)C(/C=C\C=N\[H])=N/[H])c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZEIOHYISDIRYSX-HWTUBMRESA-N. The full InChI is InChI=1S/C19H16ClF3N6O.C19H13F3N4O2.C19H13F3N4OS.C14H12ClF3N4/c20-13-9-27-10-15(16(13)17(26)29-18(30)14(25)2-1-7-24)28-8-11-3-5-12(6-4-11)19(21,22)23;2*20-19(21,22)13-7-5-12(6-8-13)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-23-11-28-16;15-10-6-21-7-11(12(10)13(19)20)22-5-8-1-3-9(4-2-8)14(16,17)18/h1-7,9-10,24-25,28H,8H2,(H2,26,29,30);2*1-9,11H,10H2,(H,24,25,27);1-4,6-7,22H,5H2,(H3,19,20)/b2-1-,24-7+,25-14+;;;.
What are the key properties of 3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide?
3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 1554.28 g/mol, XLogP of 16.84, 19 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidamide;(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162096706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).