2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

C85H80Cl6N14O8 — CID 158471745

IUPAC2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C2\CN(CC(=O)O)Cc3c(C(=O)N[C@H](C)c4ccccc4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CNCc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CNCc3c(C(=O)NN4CCCCC4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C31H28Cl2N4O4.C28H25Cl2N5O2.C26H27Cl2N5O2/c1-19(21-6-4-3-5-7-21)34-31(40)29-25-17-36(18-28(38)39)16-22(14-20-8-11-24(41-2)12-9-20)30(25)37(35-29)27-13-10-23(32)15-26(27)33;1-17(24-5-3-4-12-32-24)33-28(36)26-22-16-31-15-19(13-18-6-9-21(37-2)10-7-18)27(22)35(34-26)25-11-8-20(29)14-23(25)30;1-35-20-8-5-17(6-9-20)13-18-15-29-16-21-24(26(34)31-32-11-3-2-4-12-32)30-33(25(18)21)23-10-7-19(27)14-22(23)28/h3-15,19H,16-18H2,1-2H3,(H,34,40)(H,38,39);3-14,17,31H,15-16H2,1-2H3,(H,33,36);5-10,13-14,29H,2-4,11-12,15-16H2,1H3,(H,31,34)/b22-14+;19-13+;18-13+/t19-;;/m1../s1
InChIKeyHGKUSSGWVVZSGE-KCGBLWAKSA-N
MW1638.38 g/mol
LogP16.80
Rot. Bonds19

About 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 158471745) has the molecular formula C85H80Cl6N14O8 and a molecular weight of 1638.38 g/mol. Its IUPAC name is 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID158471745
Molecular FormulaC85H80Cl6N14O8
Molecular Weight1638.38 g/mol
Exact Mass1634.44
IUPAC Name2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C2\CN(CC(=O)O)Cc3c(C(=O)N[C@H](C)c4ccccc4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CNCc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CNCc3c(C(=O)NN4CCCCC4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C31H28Cl2N4O4.C28H25Cl2N5O2.C26H27Cl2N5O2/c1-19(21-6-4-3-5-7-21)34-31(40)29-25-17-36(18-28(38)39)16-22(14-20-8-11-24(41-2)12-9-20)30(25)37(35-29)27-13-10-23(32)15-26(27)33;1-17(24-5-3-4-12-32-24)33-28(36)26-22-16-31-15-19(13-18-6-9-21(37-2)10-7-18)27(22)35(34-26)25-11-8-20(29)14-23(25)30;1-35-20-8-5-17(6-9-20)13-18-15-29-16-21-24(26(34)31-32-11-3-2-4-12-32)30-33(25(18)21)23-10-7-19(27)14-22(23)28/h3-15,19H,16-18H2,1-2H3,(H,34,40)(H,38,39);3-14,17,31H,15-16H2,1-2H3,(H,33,36);5-10,13-14,29H,2-4,11-12,15-16H2,1H3,(H,31,34)/b22-14+;19-13+;18-13+/t19-;;/m1../s1
InChIKeyHGKUSSGWVVZSGE-KCGBLWAKSA-N
XLogP16.80
TPSA249.18 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001638.38
LogP ≤ 516.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 158471745) is 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is COc1ccc(/C=C2\CN(CC(=O)O)Cc3c(C(=O)N[C@H](C)c4ccccc4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CNCc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.COc1ccc(/C=C2\CNCc3c(C(=O)NN4CCCCC4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.
What is the InChIKey of 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is HGKUSSGWVVZSGE-KCGBLWAKSA-N. The full InChI is InChI=1S/C31H28Cl2N4O4.C28H25Cl2N5O2.C26H27Cl2N5O2/c1-19(21-6-4-3-5-7-21)34-31(40)29-25-17-36(18-28(38)39)16-22(14-20-8-11-24(41-2)12-9-20)30(25)37(35-29)27-13-10-23(32)15-26(27)33;1-17(24-5-3-4-12-32-24)33-28(36)26-22-16-31-15-19(13-18-6-9-21(37-2)10-7-18)27(22)35(34-26)25-11-8-20(29)14-23(25)30;1-35-20-8-5-17(6-9-20)13-18-15-29-16-21-24(26(34)31-32-11-3-2-4-12-32)30-33(25(18)21)23-10-7-19(27)14-22(23)28/h3-15,19H,16-18H2,1-2H3,(H,34,40)(H,38,39);3-14,17,31H,15-16H2,1-2H3,(H,33,36);5-10,13-14,29H,2-4,11-12,15-16H2,1H3,(H,31,34)/b22-14+;19-13+;18-13+/t19-;;/m1../s1.
What are the key properties of 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 1638.38 g/mol, XLogP of 16.80, 19 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridin-5-yl]acetic acid;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-pyridin-2-ylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 158471745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).