[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol

C19H17FN4O3 — CID 86267715

IUPAC[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol
SMILESCOc1ncc(F)cc1C(O)c1c[nH]c2ncc(-c3c(C)noc3C)cc12
InChIInChI=1S/C19H17FN4O3/c1-9-16(10(2)27-24-9)11-4-13-15(8-22-18(13)21-6-11)17(25)14-5-12(20)7-23-19(14)26-3/h4-8,17,25H,1-3H3,(H,21,22)
InChIKeyMYLPAVMXRGKWKO-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.46
Rot. Bonds4

About [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol (PubChem CID 86267715) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol
PubChem CID86267715
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol
SMILESCOc1ncc(F)cc1C(O)c1c[nH]c2ncc(-c3c(C)noc3C)cc12
InChIInChI=1S/C19H17FN4O3/c1-9-16(10(2)27-24-9)11-4-13-15(8-22-18(13)21-6-11)17(25)14-5-12(20)7-23-19(14)26-3/h4-8,17,25H,1-3H3,(H,21,22)
InChIKeyMYLPAVMXRGKWKO-UHFFFAOYSA-N
XLogP3.46
TPSA97.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.46
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]-(5-fluoro-2-methoxy-3-pyridinyl)methanol?
The IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol (CID 86267715) is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol?
The canonical SMILES for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol is COc1ncc(F)cc1C(O)c1c[nH]c2ncc(-c3c(C)noc3C)cc12.
What is the InChIKey of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol?
The InChIKey is MYLPAVMXRGKWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-9-16(10(2)27-24-9)11-4-13-15(8-22-18(13)21-6-11)17(25)14-5-12(20)7-23-19(14)26-3/h4-8,17,25H,1-3H3,(H,21,22).
What are the key properties of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol?
[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(5-fluoro-2-methoxy-3-pyridinyl)methanol has a molecular weight of 368.37 g/mol, XLogP of 3.46, 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]-(5-fluoro-2-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 86267715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).