methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate

C26H22N4O2 — CID 10251668

IUPACmethyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate
SMILESCOC(=O)CCc1ccc2c(-c3c(-c4cccc(C)n4)nn4ccccc34)ccnc2c1
InChIInChI=1S/C26H22N4O2/c1-17-6-5-7-21(28-17)26-25(23-8-3-4-15-30(23)29-26)20-13-14-27-22-16-18(9-11-19(20)22)10-12-24(31)32-2/h3-9,11,13-16H,10,12H2,1-2H3
InChIKeyQYFOHHQQDBYICB-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.03
Rot. Bonds5

About methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate

methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate (PubChem CID 10251668) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate
PubChem CID10251668
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Namemethyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate
SMILESCOC(=O)CCc1ccc2c(-c3c(-c4cccc(C)n4)nn4ccccc34)ccnc2c1
InChIInChI=1S/C26H22N4O2/c1-17-6-5-7-21(28-17)26-25(23-8-3-4-15-30(23)29-26)20-13-14-27-22-16-18(9-11-19(20)22)10-12-24(31)32-2/h3-9,11,13-16H,10,12H2,1-2H3
InChIKeyQYFOHHQQDBYICB-UHFFFAOYSA-N
XLogP5.03
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate?
The IUPAC name of methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate (CID 10251668) is methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate?
The canonical SMILES for methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate is COC(=O)CCc1ccc2c(-c3c(-c4cccc(C)n4)nn4ccccc34)ccnc2c1.
What is the InChIKey of methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate?
The InChIKey is QYFOHHQQDBYICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-17-6-5-7-21(28-17)26-25(23-8-3-4-15-30(23)29-26)20-13-14-27-22-16-18(9-11-19(20)22)10-12-24(31)32-2/h3-9,11,13-16H,10,12H2,1-2H3.
What are the key properties of methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate?
methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate has a molecular weight of 422.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate is sourced from PubChem (CID 10251668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).