6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol

C20H20FN5O2 — CID 137098359

IUPAC6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cncc(-c2cc(C)c3c(O)n(-c4ccn(CC(C)F)n4)cc3n2)c1
InChIInChI=1S/C20H20FN5O2/c1-12-6-16(14-7-15(28-3)9-22-8-14)23-17-11-26(20(27)19(12)17)18-4-5-25(24-18)10-13(2)21/h4-9,11,13,27H,10H2,1-3H3
InChIKeyUDFNFXXKTJAROF-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.66
Rot. Bonds5

About 6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol

6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137098359) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID137098359
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cncc(-c2cc(C)c3c(O)n(-c4ccn(CC(C)F)n4)cc3n2)c1
InChIInChI=1S/C20H20FN5O2/c1-12-6-16(14-7-15(28-3)9-22-8-14)23-17-11-26(20(27)19(12)17)18-4-5-25(24-18)10-13(2)21/h4-9,11,13,27H,10H2,1-3H3
InChIKeyUDFNFXXKTJAROF-UHFFFAOYSA-N
XLogP3.66
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (CID 137098359) is 6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol is COc1cncc(-c2cc(C)c3c(O)n(-c4ccn(CC(C)F)n4)cc3n2)c1.
What is the InChIKey of 6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is UDFNFXXKTJAROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-12-6-16(14-7-15(28-3)9-22-8-14)23-17-11-26(20(27)19(12)17)18-4-5-25(24-18)10-13(2)21/h4-9,11,13,27H,10H2,1-3H3.
What are the key properties of 6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 381.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluoropropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137098359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).