1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine

C19H13F3N4O — CID 155388920

IUPAC1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine
SMILESCOc1cncc(Cn2ncc3ncc(-c4cc(F)c(F)c(F)c4)cc32)c1
InChIInChI=1S/C19H13F3N4O/c1-27-14-2-11(6-23-8-14)10-26-18-5-13(7-24-17(18)9-25-26)12-3-15(20)19(22)16(21)4-12/h2-9H,10H2,1H3
InChIKeyDVSCBUMMZTWXGZ-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.97
Rot. Bonds4

About 1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine

1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine (PubChem CID 155388920) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine
PubChem CID155388920
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine
SMILESCOc1cncc(Cn2ncc3ncc(-c4cc(F)c(F)c(F)c4)cc32)c1
InChIInChI=1S/C19H13F3N4O/c1-27-14-2-11(6-23-8-14)10-26-18-5-13(7-24-17(18)9-25-26)12-3-15(20)19(22)16(21)4-12/h2-9H,10H2,1H3
InChIKeyDVSCBUMMZTWXGZ-UHFFFAOYSA-N
XLogP3.97
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine (CID 155388920) is 1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine is COc1cncc(Cn2ncc3ncc(-c4cc(F)c(F)c(F)c4)cc32)c1.
What is the InChIKey of 1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
The InChIKey is DVSCBUMMZTWXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c1-27-14-2-11(6-23-8-14)10-26-18-5-13(7-24-17(18)9-25-26)12-3-15(20)19(22)16(21)4-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine has a molecular weight of 370.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-3-pyridinyl)methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).