methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate

C24H19N3O3 — CID 86704746

IUPACmethyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(-c3ccccc3)nn3cc(C4CC4)ccc23)n1
InChIInChI=1S/C24H19N3O3/c1-30-24(29)19-9-5-8-18(25-19)23(28)21-20-13-12-17(15-10-11-15)14-27(20)26-22(21)16-6-3-2-4-7-16/h2-9,12-15H,10-11H2,1H3
InChIKeyHBULPMREBOGRMO-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.29
Rot. Bonds5

About methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate

methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (PubChem CID 86704746) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
PubChem CID86704746
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Namemethyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)c2c(-c3ccccc3)nn3cc(C4CC4)ccc23)n1
InChIInChI=1S/C24H19N3O3/c1-30-24(29)19-9-5-8-18(25-19)23(28)21-20-13-12-17(15-10-11-15)14-27(20)26-22(21)16-6-3-2-4-7-16/h2-9,12-15H,10-11H2,1H3
InChIKeyHBULPMREBOGRMO-UHFFFAOYSA-N
XLogP4.29
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
CID 123486112
methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
CID 158566765
methyl 6-[6-methoxy-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
CID 86704724
methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
CID 86704739
methyl 6-[(4R)-4-phenylazepane-1-carbonyl]pyridine-2-carboxylate
CID 95174970
methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704899
methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 86704895
methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 147046443
methyl 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123259065
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 6-(3-oxo-3-phenylpropanoyl)pyridine-2-carboxylate
CID 91346041
dimethyl 3-[4-(1,3-dioxan-2-yl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388517

Frequently Asked Questions

What is the IUPAC name of methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate (CID 86704746) is methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)c2c(-c3ccccc3)nn3cc(C4CC4)ccc23)n1.
What is the InChIKey of methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
The InChIKey is HBULPMREBOGRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-30-24(29)19-9-5-8-18(25-19)23(28)21-20-13-12-17(15-10-11-15)14-27(20)26-22(21)16-6-3-2-4-7-16/h2-9,12-15H,10-11H2,1H3.
What are the key properties of methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate?
methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 86704746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).