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

C44H38F6N12O6 — CID 159724715

IUPAC7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3cccnc3)[nH]c12.CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccncc3)[nH]c12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C20H18N6O.2C2HF3O2/c1-2-12-6-3-4-8-15(12)24-16-14(18(21)27)11-23-20-17(16)25-19(26-20)13-7-5-9-22-10-13;1-2-12-5-3-4-6-15(12)24-16-14(18(21)27)11-23-20-17(16)25-19(26-20)13-7-9-22-10-8-13;2*3-2(4,5)1(6)7/h2*3-11H,2H2,1H3,(H2,21,27)(H2,23,24,25,26);2*(H,6,7)
InChIKeyQPXJKKHYXGFJSP-UHFFFAOYSA-N
MW944.85 g/mol
LogP8.12
Rot. Bonds10

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

7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 159724715) has the molecular formula C44H38F6N12O6 and a molecular weight of 944.85 g/mol. Its IUPAC name is 7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID159724715
Molecular FormulaC44H38F6N12O6
Molecular Weight944.85 g/mol
Exact Mass944.29
IUPAC Name7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3cccnc3)[nH]c12.CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccncc3)[nH]c12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C20H18N6O.2C2HF3O2/c1-2-12-6-3-4-8-15(12)24-16-14(18(21)27)11-23-20-17(16)25-19(26-20)13-7-5-9-22-10-13;1-2-12-5-3-4-6-15(12)24-16-14(18(21)27)11-23-20-17(16)25-19(26-20)13-7-9-22-10-8-13;2*3-2(4,5)1(6)7/h2*3-11H,2H2,1H3,(H2,21,27)(H2,23,24,25,26);2*(H,6,7)
InChIKeyQPXJKKHYXGFJSP-UHFFFAOYSA-N
XLogP8.12
TPSA293.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500944.85
LogP ≤ 58.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 159724715) is 7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) is CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3cccnc3)[nH]c12.CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccncc3)[nH]c12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is QPXJKKHYXGFJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18N6O.2C2HF3O2/c1-2-12-6-3-4-8-15(12)24-16-14(18(21)27)11-23-20-17(16)25-19(26-20)13-7-5-9-22-10-13;1-2-12-5-3-4-6-15(12)24-16-14(18(21)27)11-23-20-17(16)25-19(26-20)13-7-9-22-10-8-13;2*3-2(4,5)1(6)7/h2*3-11H,2H2,1H3,(H2,21,27)(H2,23,24,25,26);2*(H,6,7).
What are the key properties of 7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?
7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 944.85 g/mol, XLogP of 8.12, 10 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylanilino)-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-(2-ethylanilino)-2-pyridin-4-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159724715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).