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

C25H24F3N5O5 — CID 69159465

IUPAC7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23N5O3.C2HF3O2/c1-2-14-5-3-4-6-18(14)26-19-17(21(24)30)13-25-23-20(19)27-22(28-23)15-7-9-16(10-8-15)31-12-11-29;3-2(4,5)1(6)7/h3-10,13,29H,2,11-12H2,1H3,(H2,24,30)(H2,25,26,27,28);(H,6,7)
InChIKeyQGJQSEQRKIVENE-UHFFFAOYSA-N
MW531.49 g/mol
LogP4.03
Rot. Bonds8

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

7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69159465) has the molecular formula C25H24F3N5O5 and a molecular weight of 531.49 g/mol. Its IUPAC name is 7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69159465
Molecular FormulaC25H24F3N5O5
Molecular Weight531.49 g/mol
Exact Mass531.17
IUPAC Name7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23N5O3.C2HF3O2/c1-2-14-5-3-4-6-18(14)26-19-17(21(24)30)13-25-23-20(19)27-22(28-23)15-7-9-16(10-8-15)31-12-11-29;3-2(4,5)1(6)7/h3-10,13,29H,2,11-12H2,1H3,(H2,24,30)(H2,25,26,27,28);(H,6,7)
InChIKeyQGJQSEQRKIVENE-UHFFFAOYSA-N
XLogP4.03
TPSA163.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.49
LogP ≤ 54.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (CID 69159465) is 7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is CCc1ccccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QGJQSEQRKIVENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3.C2HF3O2/c1-2-14-5-3-4-6-18(14)26-19-17(21(24)30)13-25-23-20(19)27-22(28-23)15-7-9-16(10-8-15)31-12-11-29;3-2(4,5)1(6)7/h3-10,13,29H,2,11-12H2,1H3,(H2,24,30)(H2,25,26,27,28);(H,6,7).
What are the key properties of 7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 531.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylanilino)-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69159465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).