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

C19H17F2N5O3 — CID 137058861

IUPAC2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCCn1cc(-n2cc3nc(-c4cnc(OC)c(OC(F)F)c4)ccc3c2O)cn1
InChIInChI=1S/C19H17F2N5O3/c1-3-25-9-12(8-23-25)26-10-15-13(18(26)27)4-5-14(24-15)11-6-16(29-19(20)21)17(28-2)22-7-11/h4-10,19,27H,3H2,1-2H3
InChIKeyMYEVUTJHGCQWNI-UHFFFAOYSA-N
MW401.37 g/mol
LogP3.62
Rot. Bonds6

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

2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137058861) has the molecular formula C19H17F2N5O3 and a molecular weight of 401.37 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137058861
Molecular FormulaC19H17F2N5O3
Molecular Weight401.37 g/mol
Exact Mass401.13
IUPAC Name2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
SMILESCCn1cc(-n2cc3nc(-c4cnc(OC)c(OC(F)F)c4)ccc3c2O)cn1
InChIInChI=1S/C19H17F2N5O3/c1-3-25-9-12(8-23-25)26-10-15-13(18(26)27)4-5-14(24-15)11-6-16(29-19(20)21)17(28-2)22-7-11/h4-10,19,27H,3H2,1-2H3
InChIKeyMYEVUTJHGCQWNI-UHFFFAOYSA-N
XLogP3.62
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol (CID 137058861) is 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol is CCn1cc(-n2cc3nc(-c4cnc(OC)c(OC(F)F)c4)ccc3c2O)cn1.
What is the InChIKey of 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is MYEVUTJHGCQWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O3/c1-3-25-9-12(8-23-25)26-10-15-13(18(26)27)4-5-14(24-15)11-6-16(29-19(20)21)17(28-2)22-7-11/h4-10,19,27H,3H2,1-2H3.
What are the key properties of 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol?
2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 401.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137058861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).