(7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate

C86H81Cl6F2N15O7 — CID 159573324

IUPAC(7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate
SMILESCC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)C1.COC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)C1.COc1ccc(/C=C2\CNCc3c(C(=O)N[C@H](C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C29H28Cl2FN5O3.C29H28Cl2FN5O2.C28H25Cl2N5O2/c1-40-29(39)35-13-20(11-17-5-8-22(32)9-6-17)27-23(16-35)26(33-37(27)25-10-7-21(30)12-24(25)31)28(38)34-36-14-18-3-2-4-19(18)15-36;1-17(38)35-13-21(11-18-5-8-23(32)9-6-18)28-24(16-35)27(33-37(28)26-10-7-22(30)12-25(26)31)29(39)34-36-14-19-3-2-4-20(19)15-36;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/h5-12,18-19H,2-4,13-16H2,1H3,(H,34,38);5-12,19-20H,2-4,13-16H2,1H3,(H,34,39);3-14,17,31H,15-16H2,1-2H3,(H,33,36)/b20-11+;21-11+;19-13+/t;;17-/m..1/s1
InChIKeyMICALLBNGFXNMO-QGWCPBAXSA-N
MW1687.41 g/mol
LogP17.13
Rot. Bonds14

About (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate

(7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate (PubChem CID 159573324) has the molecular formula C86H81Cl6F2N15O7 and a molecular weight of 1687.41 g/mol. Its IUPAC name is (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name(7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate
PubChem CID159573324
Molecular FormulaC86H81Cl6F2N15O7
Molecular Weight1687.41 g/mol
Exact Mass1683.45
IUPAC Name(7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate
SMILESCC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)C1.COC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)C1.COc1ccc(/C=C2\CNCc3c(C(=O)N[C@H](C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1
InChIInChI=1S/C29H28Cl2FN5O3.C29H28Cl2FN5O2.C28H25Cl2N5O2/c1-40-29(39)35-13-20(11-17-5-8-22(32)9-6-17)27-23(16-35)26(33-37(27)25-10-7-21(30)12-24(25)31)28(38)34-36-14-18-3-2-4-19(18)15-36;1-17(38)35-13-21(11-18-5-8-23(32)9-6-18)28-24(16-35)27(33-37(28)26-10-7-22(30)12-25(26)31)29(39)34-36-14-19-3-2-4-20(19)15-36;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/h5-12,18-19H,2-4,13-16H2,1H3,(H,34,38);5-12,19-20H,2-4,13-16H2,1H3,(H,34,39);3-14,17,31H,15-16H2,1-2H3,(H,33,36)/b20-11+;21-11+;19-13+/t;;17-/m..1/s1
InChIKeyMICALLBNGFXNMO-QGWCPBAXSA-N
XLogP17.13
TPSA231.24 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001687.41
LogP ≤ 517.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate (CID 159573324) is (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate is CC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)C1.COC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NN3CC4CCCC4C3)nn2-c2ccc(Cl)cc2Cl)C1.COc1ccc(/C=C2\CNCc3c(C(=O)N[C@H](C)c4ccccn4)nn(-c4ccc(Cl)cc4Cl)c32)cc1.
What is the InChIKey of (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate?
The InChIKey is MICALLBNGFXNMO-QGWCPBAXSA-N. The full InChI is InChI=1S/C29H28Cl2FN5O3.C29H28Cl2FN5O2.C28H25Cl2N5O2/c1-40-29(39)35-13-20(11-17-5-8-22(32)9-6-17)27-23(16-35)26(33-37(27)25-10-7-21(30)12-24(25)31)28(38)34-36-14-18-3-2-4-19(18)15-36;1-17(38)35-13-21(11-18-5-8-23(32)9-6-18)28-24(16-35)27(33-37(28)26-10-7-22(30)12-25(26)31)29(39)34-36-14-19-3-2-4-20(19)15-36;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/h5-12,18-19H,2-4,13-16H2,1H3,(H,34,38);5-12,19-20H,2-4,13-16H2,1H3,(H,34,39);3-14,17,31H,15-16H2,1-2H3,(H,33,36)/b20-11+;21-11+;19-13+/t;;17-/m..1/s1.
What are the key properties of (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate?
(7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 1687.41 g/mol, XLogP of 17.13, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-acetyl-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;methyl (7E)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylcarbamoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 159573324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).