4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline

C20H17FN4O — CID 162761085

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline
SMILESCOc1ccc2c(-c3cn(C)nc3-c3ccc(F)cn3)cc(C)nc2c1
InChIInChI=1S/C20H17FN4O/c1-12-8-16(15-6-5-14(26-3)9-19(15)23-12)17-11-25(2)24-20(17)18-7-4-13(21)10-22-18/h4-11H,1-3H3
InChIKeyHVJGNDSQESDIFS-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.15
Rot. Bonds3

About 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline (PubChem CID 162761085) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline
PubChem CID162761085
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline
SMILESCOc1ccc2c(-c3cn(C)nc3-c3ccc(F)cn3)cc(C)nc2c1
InChIInChI=1S/C20H17FN4O/c1-12-8-16(15-6-5-14(26-3)9-19(15)23-12)17-11-25(2)24-20(17)18-7-4-13(21)10-22-18/h4-11H,1-3H3
InChIKeyHVJGNDSQESDIFS-UHFFFAOYSA-N
XLogP4.15
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline (CID 162761085) is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline is COc1ccc2c(-c3cn(C)nc3-c3ccc(F)cn3)cc(C)nc2c1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline?
The InChIKey is HVJGNDSQESDIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-12-8-16(15-6-5-14(26-3)9-19(15)23-12)17-11-25(2)24-20(17)18-7-4-13(21)10-22-18/h4-11H,1-3H3.
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline?
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline has a molecular weight of 348.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methoxy-2-methylquinoline is sourced from PubChem (CID 162761085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).