2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol

C24H24FN5O3 — CID 137103418

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4ccc(N5CCC(F)CC5)nc4)cc3n2)cnc1OC
InChIInChI=1S/C24H24FN5O3/c1-32-21-11-15(12-27-23(21)33-2)19-5-4-18-20(28-19)14-30(24(18)31)17-3-6-22(26-13-17)29-9-7-16(25)8-10-29/h3-6,11-14,16,31H,7-10H2,1-2H3
InChIKeyVKIDRXLQMJFPNP-UHFFFAOYSA-N
MW449.49 g/mol
LogP4.14
Rot. Bonds5

About 2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol

2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137103418) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137103418
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4ccc(N5CCC(F)CC5)nc4)cc3n2)cnc1OC
InChIInChI=1S/C24H24FN5O3/c1-32-21-11-15(12-27-23(21)33-2)19-5-4-18-20(28-19)14-30(24(18)31)17-3-6-22(26-13-17)29-9-7-16(25)8-10-29/h3-6,11-14,16,31H,7-10H2,1-2H3
InChIKeyVKIDRXLQMJFPNP-UHFFFAOYSA-N
XLogP4.14
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.14
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-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137103418) is 2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol is COc1cc(-c2ccc3c(O)n(-c4ccc(N5CCC(F)CC5)nc4)cc3n2)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is VKIDRXLQMJFPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-32-21-11-15(12-27-23(21)33-2)19-5-4-18-20(28-19)14-30(24(18)31)17-3-6-22(26-13-17)29-9-7-16(25)8-10-29/h3-6,11-14,16,31H,7-10H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 449.49 g/mol, XLogP of 4.14, 5 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-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137103418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).