methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate

C17H21N5O2 — CID 19616472

IUPACmethyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCCn1nc(C)c2c(C(=O)OC)cc(-c3cnn(C)c3C)nc21
InChIInChI=1S/C17H21N5O2/c1-6-7-22-16-15(10(2)20-22)12(17(23)24-5)8-14(19-16)13-9-18-21(4)11(13)3/h8-9H,6-7H2,1-5H3
InChIKeyCNGKZSJXDXFWJX-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.65
Rot. Bonds4

About methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate

methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 19616472) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID19616472
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Namemethyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCCn1nc(C)c2c(C(=O)OC)cc(-c3cnn(C)c3C)nc21
InChIInChI=1S/C17H21N5O2/c1-6-7-22-16-15(10(2)20-22)12(17(23)24-5)8-14(19-16)13-9-18-21(4)11(13)3/h8-9H,6-7H2,1-5H3
InChIKeyCNGKZSJXDXFWJX-UHFFFAOYSA-N
XLogP2.65
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 19616472) is methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate is CCCn1nc(C)c2c(C(=O)OC)cc(-c3cnn(C)c3C)nc21.
What is the InChIKey of methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is CNGKZSJXDXFWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-6-7-22-16-15(10(2)20-22)12(17(23)24-5)8-14(19-16)13-9-18-21(4)11(13)3/h8-9H,6-7H2,1-5H3.
What are the key properties of methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 327.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1,5-dimethylpyrazol-4-yl)-3-methyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 19616472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).