(7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

C84H81Cl3F2N16O7S — CID 157125533

IUPAC(7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCCNC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NC(C)c3ccccn3)nn2-c2ccc(Cl)cc2)C1.COc1ccc(/C=C2\CN(S(C)(=O)=O)Cc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4)c32)cc1.O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2)c2c1CNC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C30H28ClFN6O2.C29H28ClN5O4S.C25H25ClFN5O/c1-3-33-30(40)37-17-21(16-20-7-11-23(32)12-8-20)28-25(18-37)27(36-38(28)24-13-9-22(31)10-14-24)29(39)35-19(2)26-6-4-5-15-34-26;1-19(26-6-4-5-15-31-26)32-29(36)27-25-18-34(40(3,37)38)17-21(16-20-7-13-24(39-2)14-8-20)28(25)35(33-27)23-11-9-22(30)10-12-23;26-19-6-10-21(11-7-19)32-24-18(14-17-4-8-20(27)9-5-17)15-28-16-22(24)23(29-32)25(33)30-31-12-2-1-3-13-31/h4-16,19H,3,17-18H2,1-2H3,(H,33,40)(H,35,39);4-16,19H,17-18H2,1-3H3,(H,32,36);4-11,14,28H,1-3,12-13,15-16H2,(H,30,33)/b2*21-16+;18-14+
InChIKeyAILSEVOAVCQBRL-BQOMMWKSSA-N
MW1603.10 g/mol
LogP14.81
Rot. Bonds17

About (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide

(7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 157125533) has the molecular formula C84H81Cl3F2N16O7S and a molecular weight of 1603.10 g/mol. Its IUPAC name is (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID157125533
Molecular FormulaC84H81Cl3F2N16O7S
Molecular Weight1603.10 g/mol
Exact Mass1600.52
IUPAC Name(7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCCNC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NC(C)c3ccccn3)nn2-c2ccc(Cl)cc2)C1.COc1ccc(/C=C2\CN(S(C)(=O)=O)Cc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4)c32)cc1.O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2)c2c1CNC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C30H28ClFN6O2.C29H28ClN5O4S.C25H25ClFN5O/c1-3-33-30(40)37-17-21(16-20-7-11-23(32)12-8-20)28-25(18-37)27(36-38(28)24-13-9-22(31)10-14-24)29(39)35-19(2)26-6-4-5-15-34-26;1-19(26-6-4-5-15-31-26)32-29(36)27-25-18-34(40(3,37)38)17-21(16-20-7-13-24(39-2)14-8-20)28(25)35(33-27)23-11-9-22(30)10-12-23;26-19-6-10-21(11-7-19)32-24-18(14-17-4-8-20(27)9-5-17)15-28-16-22(24)23(29-32)25(33)30-31-12-2-1-3-13-31/h4-16,19H,3,17-18H2,1-2H3,(H,33,40)(H,35,39);4-16,19H,17-18H2,1-3H3,(H,32,36);4-11,14,28H,1-3,12-13,15-16H2,(H,30,33)/b2*21-16+;18-14+
InChIKeyAILSEVOAVCQBRL-BQOMMWKSSA-N
XLogP14.81
TPSA260.76 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.10
LogP ≤ 514.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide (CID 157125533) is (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is CCNC(=O)N1C/C(=C\c2ccc(F)cc2)c2c(c(C(=O)NC(C)c3ccccn3)nn2-c2ccc(Cl)cc2)C1.COc1ccc(/C=C2\CN(S(C)(=O)=O)Cc3c(C(=O)NC(C)c4ccccn4)nn(-c4ccc(Cl)cc4)c32)cc1.O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2)c2c1CNC/C2=C\c1ccc(F)cc1.
What is the InChIKey of (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is AILSEVOAVCQBRL-BQOMMWKSSA-N. The full InChI is InChI=1S/C30H28ClFN6O2.C29H28ClN5O4S.C25H25ClFN5O/c1-3-33-30(40)37-17-21(16-20-7-11-23(32)12-8-20)28-25(18-37)27(36-38(28)24-13-9-22(31)10-14-24)29(39)35-19(2)26-6-4-5-15-34-26;1-19(26-6-4-5-15-31-26)32-29(36)27-25-18-34(40(3,37)38)17-21(16-20-7-13-24(39-2)14-8-20)28(25)35(33-27)23-11-9-22(30)10-12-23;26-19-6-10-21(11-7-19)32-24-18(14-17-4-8-20(27)9-5-17)15-28-16-22(24)23(29-32)25(33)30-31-12-2-1-3-13-31/h4-16,19H,3,17-18H2,1-2H3,(H,33,40)(H,35,39);4-16,19H,17-18H2,1-3H3,(H,32,36);4-11,14,28H,1-3,12-13,15-16H2,(H,30,33)/b2*21-16+;18-14+.
What are the key properties of (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide?
(7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 1603.10 g/mol, XLogP of 14.81, 17 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1-(4-chlorophenyl)-5-N-ethyl-7-[(4-fluorophenyl)methylidene]-3-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,5-dicarboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7E)-1-(4-chlorophenyl)-7-[(4-methoxyphenyl)methylidene]-5-methylsulfonyl-N-(1-pyridin-2-ylethyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 157125533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).