6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol

C22H24FN5O2 — CID 137036936

IUPAC6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cncc(-c2cc(C)c3c(O)n(-c4ccn(CC(C)(C)F)n4)c(C)c3n2)c1
InChIInChI=1S/C22H24FN5O2/c1-13-8-17(15-9-16(30-5)11-24-10-15)25-20-14(2)28(21(29)19(13)20)18-6-7-27(26-18)12-22(3,4)23/h6-11,29H,12H2,1-5H3
InChIKeyRRWCOLBLTPJHIJ-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.36
Rot. Bonds5

About 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol

6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137036936) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID137036936
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cncc(-c2cc(C)c3c(O)n(-c4ccn(CC(C)(C)F)n4)c(C)c3n2)c1
InChIInChI=1S/C22H24FN5O2/c1-13-8-17(15-9-16(30-5)11-24-10-15)25-20-14(2)28(21(29)19(13)20)18-6-7-27(26-18)12-22(3,4)23/h6-11,29H,12H2,1-5H3
InChIKeyRRWCOLBLTPJHIJ-UHFFFAOYSA-N
XLogP4.36
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol (CID 137036936) is 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol is COc1cncc(-c2cc(C)c3c(O)n(-c4ccn(CC(C)(C)F)n4)c(C)c3n2)c1.
What is the InChIKey of 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is RRWCOLBLTPJHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-13-8-17(15-9-16(30-5)11-24-10-15)25-20-14(2)28(21(29)19(13)20)18-6-7-27(26-18)12-22(3,4)23/h6-11,29H,12H2,1-5H3.
What are the key properties of 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol?
6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 409.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137036936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).