2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)

C69H64F6N16O9 — CID 173143830

IUPAC2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(N(C)C)cc3)[nH]c12.CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(O)cc3)[nH]c12.CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3cccc(O)c3)[nH]c12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H24N6O.2C21H19N5O2.2C2HF3O2/c1-4-14-7-5-6-8-18(14)26-19-17(21(24)30)13-25-23-20(19)27-22(28-23)15-9-11-16(12-10-15)29(2)3;1-2-12-6-3-4-9-16(12)24-17-15(19(22)28)11-23-21-18(17)25-20(26-21)13-7-5-8-14(27)10-13;1-2-12-5-3-4-6-16(12)24-17-15(19(22)28)11-23-21-18(17)25-20(26-21)13-7-9-14(27)10-8-13;2*3-2(4,5)1(6)7/h5-13H,4H2,1-3H3,(H2,24,30)(H2,25,26,27,28);2*3-11,27H,2H2,1H3,(H2,22,28)(H2,23,24,25,26);2*(H,6,7)
InChIKeySJBNPHVPGRXFSQ-UHFFFAOYSA-N
MW1375.36 g/mol
LogP12.83
Rot. Bonds16

About 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)

2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 173143830) has the molecular formula C69H64F6N16O9 and a molecular weight of 1375.36 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID173143830
Molecular FormulaC69H64F6N16O9
Molecular Weight1375.36 g/mol
Exact Mass1374.49
IUPAC Name2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(N(C)C)cc3)[nH]c12.CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(O)cc3)[nH]c12.CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3cccc(O)c3)[nH]c12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H24N6O.2C21H19N5O2.2C2HF3O2/c1-4-14-7-5-6-8-18(14)26-19-17(21(24)30)13-25-23-20(19)27-22(28-23)15-9-11-16(12-10-15)29(2)3;1-2-12-6-3-4-9-16(12)24-17-15(19(22)28)11-23-21-18(17)25-20(26-21)13-7-5-8-14(27)10-13;1-2-12-5-3-4-6-16(12)24-17-15(19(22)28)11-23-21-18(17)25-20(26-21)13-7-9-14(27)10-8-13;2*3-2(4,5)1(6)7/h5-13H,4H2,1-3H3,(H2,24,30)(H2,25,26,27,28);2*3-11,27H,2H2,1H3,(H2,22,28)(H2,23,24,25,26);2*(H,6,7)
InChIKeySJBNPHVPGRXFSQ-UHFFFAOYSA-N
XLogP12.83
TPSA408.37 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001375.36
LogP ≤ 512.83
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 173143830) is 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) is CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(N(C)C)cc3)[nH]c12.CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(O)cc3)[nH]c12.CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3cccc(O)c3)[nH]c12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SJBNPHVPGRXFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O.2C21H19N5O2.2C2HF3O2/c1-4-14-7-5-6-8-18(14)26-19-17(21(24)30)13-25-23-20(19)27-22(28-23)15-9-11-16(12-10-15)29(2)3;1-2-12-6-3-4-9-16(12)24-17-15(19(22)28)11-23-21-18(17)25-20(26-21)13-7-5-8-14(27)10-13;1-2-12-5-3-4-6-16(12)24-17-15(19(22)28)11-23-21-18(17)25-20(26-21)13-7-9-14(27)10-8-13;2*3-2(4,5)1(6)7/h5-13H,4H2,1-3H3,(H2,24,30)(H2,25,26,27,28);2*3-11,27H,2H2,1H3,(H2,22,28)(H2,23,24,25,26);2*(H,6,7).
What are the key properties of 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?
2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 1375.36 g/mol, XLogP of 12.83, 16 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-7-(2-ethylanilino)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(3-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 173143830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).