1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid

C17H15F3N6O3 — CID 68781701

IUPAC1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1ccncc1N1CCN(c2cnc3nc[nH]c3c2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C15H14N6O.C2HF3O2/c1-10-2-3-16-8-13(10)21-5-4-20(15(21)22)11-6-12-14(17-7-11)19-9-18-12;3-2(4,5)1(6)7/h2-3,6-9H,4-5H2,1H3,(H,17,18,19);(H,6,7)
InChIKeyAMPKNMFXWAMUCG-UHFFFAOYSA-N
MW408.34 g/mol
LogP2.74
Rot. Bonds2

About 1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid

1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 68781701) has the molecular formula C17H15F3N6O3 and a molecular weight of 408.34 g/mol. Its IUPAC name is 1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID68781701
Molecular FormulaC17H15F3N6O3
Molecular Weight408.34 g/mol
Exact Mass408.12
IUPAC Name1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1ccncc1N1CCN(c2cnc3nc[nH]c3c2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C15H14N6O.C2HF3O2/c1-10-2-3-16-8-13(10)21-5-4-20(15(21)22)11-6-12-14(17-7-11)19-9-18-12;3-2(4,5)1(6)7/h2-3,6-9H,4-5H2,1H3,(H,17,18,19);(H,6,7)
InChIKeyAMPKNMFXWAMUCG-UHFFFAOYSA-N
XLogP2.74
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid (CID 68781701) is 1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid is Cc1ccncc1N1CCN(c2cnc3nc[nH]c3c2)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is AMPKNMFXWAMUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O.C2HF3O2/c1-10-2-3-16-8-13(10)21-5-4-20(15(21)22)11-6-12-14(17-7-11)19-9-18-12;3-2(4,5)1(6)7/h2-3,6-9H,4-5H2,1H3,(H,17,18,19);(H,6,7).
What are the key properties of 1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid?
1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 408.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68781701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).