(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

C85H84Cl6F3N13O5S — CID 157253336

About (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 157253336) has the molecular formula C85H84Cl6F3N13O5S and a molecular weight of 1669.47 g/mol. Its IUPAC name is (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
• PubChem CID: 157253336
• Molecular Formula: C85H84Cl6F3N13O5S
• Molecular Weight: 1669.47 g/mol
• Exact Mass: 1665.45
• IUPAC Name: (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
• SMILES: CC(NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(C)C/C2=C\c1ccc(F)cc1)c1ccccn1.C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(S(C)(=O)=O)C/C2=C\c1ccc(F)cc1)C1CCCCC1.C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CNC/C2=C\c1ccc(F)cc1)C1CCCCC1
• InChI: InChI=1S/C29H31Cl2FN4O3S.C28H24Cl2FN5O.C28H29Cl2FN4O/c1-18(20-6-4-3-5-7-20)33-29(37)27-24-17-35(40(2,38)39)16-21(14-19-8-11-23(32)12-9-19)28(24)36(34-27)26-13-10-22(30)15-25(26)31;1-17(24-5-3-4-12-32-24)33-28(37)26-22-16-35(2)15-19(13-18-6-9-21(31)10-7-18)27(22)36(34-26)25-11-8-20(29)14-23(25)30;1-17(19-5-3-2-4-6-19)33-28(36)26-23-16-32-15-20(13-18-7-10-22(31)11-8-18)27(23)35(34-26)25-12-9-21(29)14-24(25)30/h8-15,18,20H,3-7,16-17H2,1-2H3,(H,33,37);3-14,17H,15-16H2,1-2H3,(H,33,37);7-14,17,19,32H,2-6,15-16H2,1H3,(H,33,36)/b21-14+;19-13+;20-13+/t18-;;17-/m1.1/s1
• InChIKey: AWOZHCAQLJPJLG-SPGDOOTDSA-N
• XLogP: 19.18
• TPSA: 206.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1669.47
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

The IUPAC name of (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (CID 157253336) is (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

What is the SMILES notation for (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

The canonical SMILES for (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is CC(NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(C)C/C2=C\c1ccc(F)cc1)c1ccccn1.C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(S(C)(=O)=O)C/C2=C\c1ccc(F)cc1)C1CCCCC1.C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CNC/C2=C\c1ccc(F)cc1)C1CCCCC1.

What is the InChIKey of (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

The InChIKey is AWOZHCAQLJPJLG-SPGDOOTDSA-N. The full InChI is InChI=1S/C29H31Cl2FN4O3S.C28H24Cl2FN5O.C28H29Cl2FN4O/c1-18(20-6-4-3-5-7-20)33-29(37)27-24-17-35(40(2,38)39)16-21(14-19-8-11-23(32)12-9-19)28(24)36(34-27)26-13-10-22(30)15-25(26)31;1-17(24-5-3-4-12-32-24)33-28(37)26-22-16-35(2)15-19(13-18-6-9-21(31)10-7-18)27(22)36(34-26)25-11-8-20(29)14-23(25)30;1-17(19-5-3-2-4-6-19)33-28(36)26-23-16-32-15-20(13-18-7-10-22(31)11-8-18)27(23)35(34-26)25-12-9-21(29)14-24(25)30/h8-15,18,20H,3-7,16-17H2,1-2H3,(H,33,37);3-14,17H,15-16H2,1-2H3,(H,33,37);7-14,17,19,32H,2-6,15-16H2,1H3,(H,33,36)/b21-14+;19-13+;20-13+/t18-;;17-/m1.1/s1.

What are the key properties of (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?

(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 1669.47 g/mol, XLogP of 19.18, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methylsulfonyl-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-methyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 157253336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).