2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol

C17H15N5O3 — CID 166644719

IUPAC2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol
SMILESCN1N=C(COc2cnc3oc(-c4cccnc4)nc3c2)C=CC1O
InChIInChI=1S/C17H15N5O3/c1-22-15(23)5-4-12(21-22)10-24-13-7-14-17(19-9-13)25-16(20-14)11-3-2-6-18-8-11/h2-9,15,23H,10H2,1H3
InChIKeyGSWITAULYSTIMY-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.84
Rot. Bonds4

About 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol

2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol (PubChem CID 166644719) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol.

Molecular Properties

Compound Name2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol
PubChem CID166644719
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol
SMILESCN1N=C(COc2cnc3oc(-c4cccnc4)nc3c2)C=CC1O
InChIInChI=1S/C17H15N5O3/c1-22-15(23)5-4-12(21-22)10-24-13-7-14-17(19-9-13)25-16(20-14)11-3-2-6-18-8-11/h2-9,15,23H,10H2,1H3
InChIKeyGSWITAULYSTIMY-UHFFFAOYSA-N
XLogP1.84
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol?
The IUPAC name of 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol (CID 166644719) is 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol.
What is the SMILES notation for 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol?
The canonical SMILES for 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol is CN1N=C(COc2cnc3oc(-c4cccnc4)nc3c2)C=CC1O.
What is the InChIKey of 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol?
The InChIKey is GSWITAULYSTIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-22-15(23)5-4-12(21-22)10-24-13-7-14-17(19-9-13)25-16(20-14)11-3-2-6-18-8-11/h2-9,15,23H,10H2,1H3.
What are the key properties of 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol?
2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol has a molecular weight of 337.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridin-6-yl)oxymethyl]-3H-pyridazin-3-ol is sourced from PubChem (CID 166644719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).