N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide

C106H104F6N24O9 — CID 159884846

IUPACN,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide
SMILESCCc1cccc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)N(C)C)CC4)nc4c3cnn4C)cc2)c1.CN(C)C(=O)C1(c2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c3cnn(CCO)c3n2)CC1.CNC(=O)c1cc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2cnn(C)c2n1.Cc1cccc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)N(C)C)CC4)nc4c3cnn4C)cc2)c1
InChIInChI=1S/C28H27F3N6O3.C28H30N6O2.C27H28N6O2.C23H19F3N6O2/c1-36(2)25(39)27(10-11-27)23-15-21(22-16-32-37(12-13-38)24(22)35-23)17-6-8-19(9-7-17)33-26(40)34-20-5-3-4-18(14-20)28(29,30)31;1-5-18-7-6-8-21(15-18)31-27(36)30-20-11-9-19(10-12-20)22-16-24(28(13-14-28)26(35)33(2)3)32-25-23(22)17-29-34(25)4;1-17-6-5-7-20(14-17)30-26(35)29-19-10-8-18(9-11-19)21-15-23(27(12-13-27)25(34)32(2)3)31-24-22(21)16-28-33(24)4;1-27-21(33)19-11-17(18-12-28-32(2)20(18)31-19)13-6-8-15(9-7-13)29-22(34)30-16-5-3-4-14(10-16)23(24,25)26/h3-9,14-16,38H,10-13H2,1-2H3,(H2,33,34,40);6-12,15-17H,5,13-14H2,1-4H3,(H2,30,31,36);5-11,14-16H,12-13H2,1-4H3,(H2,29,30,35);3-12H,1-2H3,(H,27,33)(H2,29,30,34)
InChIKeyNTZQIWFHIWJGCX-UHFFFAOYSA-N
MW1972.14 g/mol
LogP19.20
Rot. Bonds22

About N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide

N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide (PubChem CID 159884846) has the molecular formula C106H104F6N24O9 and a molecular weight of 1972.14 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide
PubChem CID159884846
Molecular FormulaC106H104F6N24O9
Molecular Weight1972.14 g/mol
Exact Mass1970.83
IUPAC NameN,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide
SMILESCCc1cccc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)N(C)C)CC4)nc4c3cnn4C)cc2)c1.CN(C)C(=O)C1(c2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c3cnn(CCO)c3n2)CC1.CNC(=O)c1cc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2cnn(C)c2n1.Cc1cccc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)N(C)C)CC4)nc4c3cnn4C)cc2)c1
InChIInChI=1S/C28H27F3N6O3.C28H30N6O2.C27H28N6O2.C23H19F3N6O2/c1-36(2)25(39)27(10-11-27)23-15-21(22-16-32-37(12-13-38)24(22)35-23)17-6-8-19(9-7-17)33-26(40)34-20-5-3-4-18(14-20)28(29,30)31;1-5-18-7-6-8-21(15-18)31-27(36)30-20-11-9-19(10-12-20)22-16-24(28(13-14-28)26(35)33(2)3)32-25-23(22)17-29-34(25)4;1-17-6-5-7-20(14-17)30-26(35)29-19-10-8-18(9-11-19)21-15-23(27(12-13-27)25(34)32(2)3)31-24-22(21)16-28-33(24)4;1-27-21(33)19-11-17(18-12-28-32(2)20(18)31-19)13-6-8-15(9-7-13)29-22(34)30-16-5-3-4-14(10-16)23(24,25)26/h3-9,14-16,38H,10-13H2,1-2H3,(H2,33,34,40);6-12,15-17H,5,13-14H2,1-4H3,(H2,30,31,36);5-11,14-16H,12-13H2,1-4H3,(H2,29,30,35);3-12H,1-2H3,(H,27,33)(H2,29,30,34)
InChIKeyNTZQIWFHIWJGCX-UHFFFAOYSA-N
XLogP19.20
TPSA397.62 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001972.14
LogP ≤ 519.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide (CID 159884846) is N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide is CCc1cccc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)N(C)C)CC4)nc4c3cnn4C)cc2)c1.CN(C)C(=O)C1(c2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c3cnn(CCO)c3n2)CC1.CNC(=O)c1cc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2cnn(C)c2n1.Cc1cccc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)N(C)C)CC4)nc4c3cnn4C)cc2)c1.
What is the InChIKey of N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide?
The InChIKey is NTZQIWFHIWJGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O3.C28H30N6O2.C27H28N6O2.C23H19F3N6O2/c1-36(2)25(39)27(10-11-27)23-15-21(22-16-32-37(12-13-38)24(22)35-23)17-6-8-19(9-7-17)33-26(40)34-20-5-3-4-18(14-20)28(29,30)31;1-5-18-7-6-8-21(15-18)31-27(36)30-20-11-9-19(10-12-20)22-16-24(28(13-14-28)26(35)33(2)3)32-25-23(22)17-29-34(25)4;1-17-6-5-7-20(14-17)30-26(35)29-19-10-8-18(9-11-19)21-15-23(27(12-13-27)25(34)32(2)3)31-24-22(21)16-28-33(24)4;1-27-21(33)19-11-17(18-12-28-32(2)20(18)31-19)13-6-8-15(9-7-13)29-22(34)30-16-5-3-4-14(10-16)23(24,25)26/h3-9,14-16,38H,10-13H2,1-2H3,(H2,33,34,40);6-12,15-17H,5,13-14H2,1-4H3,(H2,30,31,36);5-11,14-16H,12-13H2,1-4H3,(H2,29,30,35);3-12H,1-2H3,(H,27,33)(H2,29,30,34).
What are the key properties of N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide?
N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide has a molecular weight of 1972.14 g/mol, XLogP of 19.20, 22 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-methyl-4-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;N,1-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-[4-[4-[(3-ethylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[1-(2-hydroxyethyl)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 159884846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).