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

C21H22FN5O2 — CID 137060541

IUPAC6-[1-(2-fluoro-2-methylpropyl)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)(C)F)n4)cc3n2)c1
InChIInChI=1S/C21H22FN5O2/c1-13-7-16(14-8-15(29-4)10-23-9-14)24-17-11-27(20(28)19(13)17)18-5-6-26(25-18)12-21(2,3)22/h5-11,28H,12H2,1-4H3
InChIKeyBFCUQPFJZWFTNN-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.05
Rot. Bonds5

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

6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137060541) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID137060541
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name6-[1-(2-fluoro-2-methylpropyl)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)(C)F)n4)cc3n2)c1
InChIInChI=1S/C21H22FN5O2/c1-13-7-16(14-8-15(29-4)10-23-9-14)24-17-11-27(20(28)19(13)17)18-5-6-26(25-18)12-21(2,3)22/h5-11,28H,12H2,1-4H3
InChIKeyBFCUQPFJZWFTNN-UHFFFAOYSA-N
XLogP4.05
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.05
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-methylpyrrolo[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-methylpyrrolo[3,4-b]pyridin-5-ol (CID 137060541) is 6-[1-(2-fluoro-2-methylpropyl)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-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[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-methylpyrrolo[3,4-b]pyridin-5-ol is COc1cncc(-c2cc(C)c3c(O)n(-c4ccn(CC(C)(C)F)n4)cc3n2)c1.
What is the InChIKey of 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is BFCUQPFJZWFTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-13-7-16(14-8-15(29-4)10-23-9-14)24-17-11-27(20(28)19(13)17)18-5-6-26(25-18)12-21(2,3)22/h5-11,28H,12H2,1-4H3.
What are the key properties of 6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
6-[1-(2-fluoro-2-methylpropyl)pyrazol-3-yl]-2-(5-methoxy-3-pyridinyl)-4-methylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 395.44 g/mol, XLogP of 4.05, 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-methylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137060541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).