methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate

C24H22N2O3 — CID 158770822

IUPACmethyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate
SMILESCOC(=O)c1cc(CO)cc(Cc2c(-c3ccccc3)nn3cc(C)ccc23)c1
InChIInChI=1S/C24H22N2O3/c1-16-8-9-22-21(23(25-26(22)14-16)19-6-4-3-5-7-19)13-17-10-18(15-27)12-20(11-17)24(28)29-2/h3-12,14,27H,13,15H2,1-2H3
InChIKeyIPVMTNDZVLCJKO-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.18
Rot. Bonds5

About methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate

methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate (PubChem CID 158770822) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate
PubChem CID158770822
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate
SMILESCOC(=O)c1cc(CO)cc(Cc2c(-c3ccccc3)nn3cc(C)ccc23)c1
InChIInChI=1S/C24H22N2O3/c1-16-8-9-22-21(23(25-26(22)14-16)19-6-4-3-5-7-19)13-17-10-18(15-27)12-20(11-17)24(28)29-2/h3-12,14,27H,13,15H2,1-2H3
InChIKeyIPVMTNDZVLCJKO-UHFFFAOYSA-N
XLogP4.18
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-5-(methylsulfanylmethyl)benzoic acid
CID 160774667
methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 147046443
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 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123259065
6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 158313941
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
methyl 3-[(4-formyl-3-phenylpyrazol-1-yl)methyl]benzoate
CID 19619706
methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate
CID 163207395
methyl 3-(hydroxymethyl)-5-[methyl-[(4-methylphenyl)methyl]amino]benzoate
CID 58120155
methyl 6-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]pyridine-2-carboxylate
CID 158566765
6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704894

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate?
The IUPAC name of methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate (CID 158770822) is methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate.
What is the SMILES notation for methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate?
The canonical SMILES for methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate is COC(=O)c1cc(CO)cc(Cc2c(-c3ccccc3)nn3cc(C)ccc23)c1.
What is the InChIKey of methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate?
The InChIKey is IPVMTNDZVLCJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-8-9-22-21(23(25-26(22)14-16)19-6-4-3-5-7-19)13-17-10-18(15-27)12-20(11-17)24(28)29-2/h3-12,14,27H,13,15H2,1-2H3.
What are the key properties of methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate?
methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate has a molecular weight of 386.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate is sourced from PubChem (CID 158770822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).