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

C20H19FN4O3 — CID 86267506

IUPAC4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ncc(F)cc1C(OC)c1c[nH]c2ncc(-c3c(C)noc3C)cc12
InChIInChI=1S/C20H19FN4O3/c1-10-17(11(2)28-25-10)12-5-14-16(9-23-19(14)22-7-12)18(26-3)15-6-13(21)8-24-20(15)27-4/h5-9,18H,1-4H3,(H,22,23)
InChIKeyFLKSMWGNWNYYLS-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.11
Rot. Bonds5

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

4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 86267506) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID86267506
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ncc(F)cc1C(OC)c1c[nH]c2ncc(-c3c(C)noc3C)cc12
InChIInChI=1S/C20H19FN4O3/c1-10-17(11(2)28-25-10)12-5-14-16(9-23-19(14)22-7-12)18(26-3)15-6-13(21)8-24-20(15)27-4/h5-9,18H,1-4H3,(H,22,23)
InChIKeyFLKSMWGNWNYYLS-UHFFFAOYSA-N
XLogP4.11
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole (CID 86267506) is 4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole is COc1ncc(F)cc1C(OC)c1c[nH]c2ncc(-c3c(C)noc3C)cc12.
What is the InChIKey of 4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FLKSMWGNWNYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-10-17(11(2)28-25-10)12-5-14-16(9-23-19(14)22-7-12)18(26-3)15-6-13(21)8-24-20(15)27-4/h5-9,18H,1-4H3,(H,22,23).
What are the key properties of 4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 382.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-fluoro-2-methoxy-3-pyridinyl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 86267506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).