methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate

C23H21N3O2 — CID 147046443

IUPACmethyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)cc(Cc2c(-c3ccccc3)nn3cc(C)ccc23)n1
InChIInChI=1S/C23H21N3O2/c1-15-9-10-21-19(13-18-11-16(2)12-20(24-18)23(27)28-3)22(25-26(21)14-15)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3
InChIKeyBALWHAWCCNQVLI-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.39
Rot. Bonds4

About methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate

methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate (PubChem CID 147046443) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
PubChem CID147046443
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Namemethyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)cc(Cc2c(-c3ccccc3)nn3cc(C)ccc23)n1
InChIInChI=1S/C23H21N3O2/c1-15-9-10-21-19(13-18-11-16(2)12-20(24-18)23(27)28-3)22(25-26(21)14-15)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3
InChIKeyBALWHAWCCNQVLI-UHFFFAOYSA-N
XLogP4.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704899
methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 159676255
methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate
CID 158770822
methyl 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123259065
methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 86704895
6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 158313941
3-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-5-(methylsulfanylmethyl)benzoic acid
CID 160774667
6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704894
methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate
CID 72942071
methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
CID 158566765
6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 159391759
ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
CID 142291792

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate (CID 147046443) is methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cc(C)cc(Cc2c(-c3ccccc3)nn3cc(C)ccc23)n1.
What is the InChIKey of methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
The InChIKey is BALWHAWCCNQVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-9-10-21-19(13-18-11-16(2)12-20(24-18)23(27)28-3)22(25-26(21)14-15)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3.
What are the key properties of methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 147046443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).