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

C22H24FN5O3 — CID 137072264

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4ccn(CC(C)(C)F)n4)c(C)c3n2)cnc1OC
InChIInChI=1S/C22H24FN5O3/c1-13-19-15(21(29)28(13)18-8-9-27(26-18)12-22(2,3)23)6-7-16(25-19)14-10-17(30-4)20(31-5)24-11-14/h6-11,29H,12H2,1-5H3
InChIKeyHJCGKJBMFOHPFH-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.06
Rot. Bonds6

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

2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137072264) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID137072264
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4ccn(CC(C)(C)F)n4)c(C)c3n2)cnc1OC
InChIInChI=1S/C22H24FN5O3/c1-13-19-15(21(29)28(13)18-8-9-27(26-18)12-22(2,3)23)6-7-16(25-19)14-10-17(30-4)20(31-5)24-11-14/h6-11,29H,12H2,1-5H3
InChIKeyHJCGKJBMFOHPFH-UHFFFAOYSA-N
XLogP4.06
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol (CID 137072264) is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol is COc1cc(-c2ccc3c(O)n(-c4ccn(CC(C)(C)F)n4)c(C)c3n2)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is HJCGKJBMFOHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-13-19-15(21(29)28(13)18-8-9-27(26-18)12-22(2,3)23)6-7-16(25-19)14-10-17(30-4)20(31-5)24-11-14/h6-11,29H,12H2,1-5H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 425.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-7-methylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137072264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).