2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol

C20H19F2N5O2 — CID 137072940

IUPAC2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCn1ccc(-n2c(C)c3nc(-c4cncc(OC(F)F)c4)cc(C)c3c2O)n1
InChIInChI=1S/C20H19F2N5O2/c1-4-26-6-5-16(25-26)27-12(3)18-17(19(27)28)11(2)7-15(24-18)13-8-14(10-23-9-13)29-20(21)22/h5-10,20,28H,4H2,1-3H3
InChIKeyDVTSZHGZOAJSJF-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.23
Rot. Bonds5

About 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol

2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137072940) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID137072940
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCn1ccc(-n2c(C)c3nc(-c4cncc(OC(F)F)c4)cc(C)c3c2O)n1
InChIInChI=1S/C20H19F2N5O2/c1-4-26-6-5-16(25-26)27-12(3)18-17(19(27)28)11(2)7-15(24-18)13-8-14(10-23-9-13)29-20(21)22/h5-10,20,28H,4H2,1-3H3
InChIKeyDVTSZHGZOAJSJF-UHFFFAOYSA-N
XLogP4.23
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol (CID 137072940) is 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol is CCn1ccc(-n2c(C)c3nc(-c4cncc(OC(F)F)c4)cc(C)c3c2O)n1.
What is the InChIKey of 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is DVTSZHGZOAJSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-4-26-6-5-16(25-26)27-12(3)18-17(19(27)28)11(2)7-15(24-18)13-8-14(10-23-9-13)29-20(21)22/h5-10,20,28H,4H2,1-3H3.
What are the key properties of 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol?
2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 399.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137072940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).