N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 161255651) has the molecular formula C75H61Cl3F12N16O5S and a molecular weight of 1632.82 g/mol. Its IUPAC name is N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name	N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID	161255651
Molecular Formula	C75H61Cl3F12N16O5S
Molecular Weight	1632.82 g/mol
Exact Mass	1630.36
IUPAC Name	N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILES	CC(C)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.CCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.[H]/N=C(\NC(=O)c1scnc1C)c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C21H16F3N3O2.C19H15ClF3N5OS.C18H16ClF3N4O.C17H14ClF3N4O/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-10-16(30-9-27-10)18(29)28-17(24)15-13(20)7-25-8-14(15)26-6-11-2-4-12(5-3-11)19(21,22)23;1-10(2)17(27)24-16-15-13(19)7-23-8-14(15)26(25-16)9-11-3-5-12(6-4-11)18(20,21)22;1-2-14(26)23-16-15-12(18)7-22-8-13(15)25(24-16)9-10-3-5-11(6-4-10)17(19,20)21/h2-11H,12H2,1H3,(H,25,26,28);2-5,7-9,26H,6H2,1H3,(H2,24,28,29);3-8,10H,9H2,1-2H3,(H,24,25,27);3-8H,2,9H2,1H3,(H,23,24,26)
InChIKey	VBWLKQVJMSICHG-UHFFFAOYSA-N
XLogP	19.39
TPSA	270.44 Å²
H-Bond Donors	6
H-Bond Acceptors	18
Rotatable Bonds	17
Heavy Atoms	112
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1632.82
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Analyze N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

The IUPAC name of N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 161255651) is N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

What is the SMILES notation for N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

The canonical SMILES for N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is CC(C)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.CCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.[H]/N=C(\NC(=O)c1scnc1C)c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

The InChIKey is VBWLKQVJMSICHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2.C19H15ClF3N5OS.C18H16ClF3N4O.C17H14ClF3N4O/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-10-16(30-9-27-10)18(29)28-17(24)15-13(20)7-25-8-14(15)26-6-11-2-4-12(5-3-11)19(21,22)23;1-10(2)17(27)24-16-15-13(19)7-23-8-14(15)26(25-16)9-11-3-5-12(6-4-11)18(20,21)22;1-2-14(26)23-16-15-12(18)7-22-8-13(15)25(24-16)9-10-3-5-11(6-4-10)17(19,20)21/h2-11H,12H2,1H3,(H,25,26,28);2-5,7-9,26H,6H2,1H3,(H2,24,28,29);3-8,10H,9H2,1-2H3,(H,24,25,27);3-8H,2,9H2,1H3,(H,23,24,26).

What are the key properties of N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?

Where does this data come from?

All data for N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 161255651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).