3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol

C31H32N6O5 — CID 158074783

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol
SMILESCC(C)Oc1cc(O)cc(-c2nc3ncccc3[nH]2)c1.COC[C@H](C)Oc1cc(O)cc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C16H17N3O3.C15H15N3O2/c1-10(9-21-2)22-13-7-11(6-12(20)8-13)15-18-14-4-3-5-17-16(14)19-15;1-9(2)20-12-7-10(6-11(19)8-12)14-17-13-4-3-5-16-15(13)18-14/h3-8,10,20H,9H2,1-2H3,(H,17,18,19);3-9,19H,1-2H3,(H,16,17,18)/t10-;/m0./s1
InChIKeyFMFWMYNUMCRAGV-PPHPATTJSA-N
MW568.63 g/mol
LogP5.86
Rot. Bonds8

About 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol

3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol (PubChem CID 158074783) has the molecular formula C31H32N6O5 and a molecular weight of 568.63 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol
PubChem CID158074783
Molecular FormulaC31H32N6O5
Molecular Weight568.63 g/mol
Exact Mass568.24
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol
SMILESCC(C)Oc1cc(O)cc(-c2nc3ncccc3[nH]2)c1.COC[C@H](C)Oc1cc(O)cc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C16H17N3O3.C15H15N3O2/c1-10(9-21-2)22-13-7-11(6-12(20)8-13)15-18-14-4-3-5-17-16(14)19-15;1-9(2)20-12-7-10(6-11(19)8-12)14-17-13-4-3-5-16-15(13)18-14/h3-8,10,20H,9H2,1-2H3,(H,17,18,19);3-9,19H,1-2H3,(H,16,17,18)/t10-;/m0./s1
InChIKeyFMFWMYNUMCRAGV-PPHPATTJSA-N
XLogP5.86
TPSA151.29 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.63
LogP ≤ 55.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol (CID 158074783) is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol is CC(C)Oc1cc(O)cc(-c2nc3ncccc3[nH]2)c1.COC[C@H](C)Oc1cc(O)cc(-c2nc3ncccc3[nH]2)c1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol?
The InChIKey is FMFWMYNUMCRAGV-PPHPATTJSA-N. The full InChI is InChI=1S/C16H17N3O3.C15H15N3O2/c1-10(9-21-2)22-13-7-11(6-12(20)8-13)15-18-14-4-3-5-17-16(14)19-15;1-9(2)20-12-7-10(6-11(19)8-12)14-17-13-4-3-5-16-15(13)18-14/h3-8,10,20H,9H2,1-2H3,(H,17,18,19);3-9,19H,1-2H3,(H,16,17,18)/t10-;/m0./s1.
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol?
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol has a molecular weight of 568.63 g/mol, XLogP of 5.86, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol is sourced from PubChem (CID 158074783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).