3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol

C19H16FN5O2 — CID 162760935

IUPAC3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol
SMILESCn1cc(-c2ccnc3[nH]c(C4(O)COC4)cc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C19H16FN5O2/c1-25-8-14(17(24-25)15-3-2-11(20)7-22-15)12-4-5-21-18-13(12)6-16(23-18)19(26)9-27-10-19/h2-8,26H,9-10H2,1H3,(H,21,23)
InChIKeyMOTWWFVKUWIKMC-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.38
Rot. Bonds3

About 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol

3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol (PubChem CID 162760935) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol.

Molecular Properties

Compound Name3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol
PubChem CID162760935
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol
SMILESCn1cc(-c2ccnc3[nH]c(C4(O)COC4)cc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C19H16FN5O2/c1-25-8-14(17(24-25)15-3-2-11(20)7-22-15)12-4-5-21-18-13(12)6-16(23-18)19(26)9-27-10-19/h2-8,26H,9-10H2,1H3,(H,21,23)
InChIKeyMOTWWFVKUWIKMC-UHFFFAOYSA-N
XLogP2.38
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol?
The IUPAC name of 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol (CID 162760935) is 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol.
What is the SMILES notation for 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol?
The canonical SMILES for 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol is Cn1cc(-c2ccnc3[nH]c(C4(O)COC4)cc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol?
The InChIKey is MOTWWFVKUWIKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-25-8-14(17(24-25)15-3-2-11(20)7-22-15)12-4-5-21-18-13(12)6-16(23-18)19(26)9-27-10-19/h2-8,26H,9-10H2,1H3,(H,21,23).
What are the key properties of 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol?
3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol has a molecular weight of 365.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol is sourced from PubChem (CID 162760935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).