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

C19H17F2N5O2 — CID 137094464

IUPAC2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCn1ccc(-n2cc3nc(-c4cncc(OC(F)F)c4)cc(C)c3c2O)n1
InChIInChI=1S/C19H17F2N5O2/c1-3-25-5-4-16(24-25)26-10-15-17(18(26)27)11(2)6-14(23-15)12-7-13(9-22-8-12)28-19(20)21/h4-10,19,27H,3H2,1-2H3
InChIKeyUSNBHOOOCSDUPM-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.92
Rot. Bonds5

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

2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137094464) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
PubChem CID137094464
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol
SMILESCCn1ccc(-n2cc3nc(-c4cncc(OC(F)F)c4)cc(C)c3c2O)n1
InChIInChI=1S/C19H17F2N5O2/c1-3-25-5-4-16(24-25)26-10-15-17(18(26)27)11(2)6-14(23-15)12-7-13(9-22-8-12)28-19(20)21/h4-10,19,27H,3H2,1-2H3
InChIKeyUSNBHOOOCSDUPM-UHFFFAOYSA-N
XLogP3.92
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.92
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-methylpyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol (CID 137094464) is 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol is CCn1ccc(-n2cc3nc(-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-methylpyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is USNBHOOOCSDUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-3-25-5-4-16(24-25)26-10-15-17(18(26)27)11(2)6-14(23-15)12-7-13(9-22-8-12)28-19(20)21/h4-10,19,27H,3H2,1-2H3.
What are the key properties of 2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol?
2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methylpyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 385.37 g/mol, XLogP of 3.92, 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-methylpyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137094464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).