tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide

C95H96Cl6FN15O10 — CID 159246637

About tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide

tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide (PubChem CID 159246637) has the molecular formula C95H96Cl6FN15O10 and a molecular weight of 1839.62 g/mol. Its IUPAC name is tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide
• PubChem CID: 159246637
• Molecular Formula: C95H96Cl6FN15O10
• Molecular Weight: 1839.62 g/mol
• Exact Mass: 1835.56
• IUPAC Name: tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide
• SMILES: CCNC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)C1.COc1ccc(/C=C2\CN(C(=O)OC(C)(C)C)Cc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CN(C(=O)OC(C)(C)C)Cc3c(C(=O)N[C@H](C)c4ccccc4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
• InChI: InChI=1S/C34H34Cl2N4O4.C33H33Cl2N5O4.C28H29Cl2FN6O2/c1-21(23-9-7-6-8-10-23)37-32(41)30-27-20-39(33(42)44-34(2,3)4)19-24(17-22-11-14-26(43-5)15-12-22)31(27)40(38-30)29-16-13-25(35)18-28(29)36;1-20(27-8-6-7-15-36-27)37-31(41)29-25-19-39(32(42)44-33(2,3)4)18-22(16-21-9-12-24(43-5)13-10-21)30(25)40(38-29)28-14-11-23(34)17-26(28)35;1-2-32-28(39)35-16-19(14-18-6-9-21(31)10-7-18)26-22(17-35)25(27(38)34-36-12-4-3-5-13-36)33-37(26)24-11-8-20(29)15-23(24)30/h6-18,21H,19-20H2,1-5H3,(H,37,41);6-17,20H,18-19H2,1-5H3,(H,37,41);6-11,14-15H,2-5,12-13,16-17H2,1H3,(H,32,39)(H,34,38)/b24-17+;22-16+;19-14+/t21-;;/m1../s1
• InChIKey: KUTLXPYQPZKZBW-KJJOXJBYSA-N
• XLogP: 20.87
• TPSA: 266.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.62
LogP ≤ 5	20.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide?

The IUPAC name of tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide (CID 159246637) is tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide.

What is the SMILES notation for tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide?

The canonical SMILES for tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide is CCNC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)C1.COc1ccc(/C=C2\CN(C(=O)OC(C)(C)C)Cc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CN(C(=O)OC(C)(C)C)Cc3c(C(=O)N[C@H](C)c4ccccc4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.

What is the InChIKey of tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide?

The InChIKey is KUTLXPYQPZKZBW-KJJOXJBYSA-N. The full InChI is InChI=1S/C34H34Cl2N4O4.C33H33Cl2N5O4.C28H29Cl2FN6O2/c1-21(23-9-7-6-8-10-23)37-32(41)30-27-20-39(33(42)44-34(2,3)4)19-24(17-22-11-14-26(43-5)15-12-22)31(27)40(38-30)29-16-13-25(35)18-28(29)36;1-20(27-8-6-7-15-36-27)37-31(41)29-25-19-39(32(42)44-33(2,3)4)18-22(16-21-9-12-24(43-5)13-10-21)30(25)40(38-29)28-14-11-23(34)17-26(28)35;1-2-32-28(39)35-16-19(14-18-6-9-21(31)10-7-18)26-22(17-35)25(27(38)34-36-12-4-3-5-13-36)33-37(26)24-11-8-20(29)15-23(24)30/h6-18,21H,19-20H2,1-5H3,(H,37,41);6-17,20H,18-19H2,1-5H3,(H,37,41);6-11,14-15H,2-5,12-13,16-17H2,1H3,(H,32,39)(H,34,38)/b24-17+;22-16+;19-14+/t21-;;/m1../s1.

What are the key properties of tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide?

tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide has a molecular weight of 1839.62 g/mol, XLogP of 20.87, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-(1-pyridin-2-ylethylcarbamoyl)-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate;(7E)-1-(2,4-dichlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-piperidin-1-yl-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 159246637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).