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

C20H18FN5O3 — CID 137068830

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
SMILESC=C(F)Cn1cc(-n2cc3nc(-c4cnc(OC)c(OC)c4)ccc3c2O)cn1
InChIInChI=1S/C20H18FN5O3/c1-12(21)9-25-10-14(8-23-25)26-11-17-15(20(26)27)4-5-16(24-17)13-6-18(28-2)19(29-3)22-7-13/h4-8,10-11,27H,1,9H2,2-3H3
InChIKeyWZHDDAZDNXIQIH-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.49
Rot. Bonds6

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

2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137068830) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137068830
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
SMILESC=C(F)Cn1cc(-n2cc3nc(-c4cnc(OC)c(OC)c4)ccc3c2O)cn1
InChIInChI=1S/C20H18FN5O3/c1-12(21)9-25-10-14(8-23-25)26-11-17-15(20(26)27)4-5-16(24-17)13-6-18(28-2)19(29-3)22-7-13/h4-8,10-11,27H,1,9H2,2-3H3
InChIKeyWZHDDAZDNXIQIH-UHFFFAOYSA-N
XLogP3.49
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.49
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-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (CID 137068830) is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is C=C(F)Cn1cc(-n2cc3nc(-c4cnc(OC)c(OC)c4)ccc3c2O)cn1.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is WZHDDAZDNXIQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-12(21)9-25-10-14(8-23-25)26-11-17-15(20(26)27)4-5-16(24-17)13-6-18(28-2)19(29-3)22-7-13/h4-8,10-11,27H,1,9H2,2-3H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 395.39 g/mol, XLogP of 3.49, 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-fluoroprop-2-enyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137068830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).