[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol

C23H19N5O2 — CID 90426661

IUPAC[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol
SMILESCc1noc(C)c1-c1cnc2[nH]cc(C(O)(c3ccccn3)c3ccccn3)c2c1
InChIInChI=1S/C23H19N5O2/c1-14-21(15(2)30-28-14)16-11-17-18(13-27-22(17)26-12-16)23(29,19-7-3-5-9-24-19)20-8-4-6-10-25-20/h3-13,29H,1-2H3,(H,26,27)
InChIKeyNMUBDJSLLYMLFO-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.91
Rot. Bonds4

About [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol (PubChem CID 90426661) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol.

Molecular Properties

Compound Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol
PubChem CID90426661
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol
SMILESCc1noc(C)c1-c1cnc2[nH]cc(C(O)(c3ccccn3)c3ccccn3)c2c1
InChIInChI=1S/C23H19N5O2/c1-14-21(15(2)30-28-14)16-11-17-18(13-27-22(17)26-12-16)23(29,19-7-3-5-9-24-19)20-8-4-6-10-25-20/h3-13,29H,1-2H3,(H,26,27)
InChIKeyNMUBDJSLLYMLFO-UHFFFAOYSA-N
XLogP3.91
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol?
The IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol (CID 90426661) is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol.
What is the SMILES notation for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol?
The canonical SMILES for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol is Cc1noc(C)c1-c1cnc2[nH]cc(C(O)(c3ccccn3)c3ccccn3)c2c1.
What is the InChIKey of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol?
The InChIKey is NMUBDJSLLYMLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-14-21(15(2)30-28-14)16-11-17-18(13-27-22(17)26-12-16)23(29,19-7-3-5-9-24-19)20-8-4-6-10-25-20/h3-13,29H,1-2H3,(H,26,27).
What are the key properties of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol?
[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol has a molecular weight of 397.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-dipyridin-2-ylmethanol is sourced from PubChem (CID 90426661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).