1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine

C52H72N10S — CID 157372869

IUPAC1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine
SMILESCC.CC.CC.CC.CC.Cc1cnc2c(ccn2C)c1.Cc1cnc2c(cnn2C)c1.Cc1cnc2ccccc2c1.Cc1cnc2ccnn2c1.Cc1cnc2ccsc2c1
InChIInChI=1S/C10H9N.C9H10N2.C8H9N3.C8H7NS.C7H7N3.5C2H6/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-5-8-3-4-11(2)9(8)10-6-7;1-6-3-7-5-10-11(2)8(7)9-4-6;1-6-4-8-7(9-5-6)2-3-10-8;1-6-4-8-7-2-3-9-10(7)5-6;5*1-2/h2-7H,1H3;3-6H,1-2H3;3-5H,1-2H3;2*2-5H,1H3;5*1-2H3
InChIKeyBJYWPUPDTXQIQO-UHFFFAOYSA-N
MW869.28 g/mol
LogP14.48
Rot. Bonds

About 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine

1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine (PubChem CID 157372869) has the molecular formula C52H72N10S and a molecular weight of 869.28 g/mol. Its IUPAC name is 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine
PubChem CID157372869
Molecular FormulaC52H72N10S
Molecular Weight869.28 g/mol
Exact Mass868.57
IUPAC Name1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine
SMILESCC.CC.CC.CC.CC.Cc1cnc2c(ccn2C)c1.Cc1cnc2c(cnn2C)c1.Cc1cnc2ccccc2c1.Cc1cnc2ccnn2c1.Cc1cnc2ccsc2c1
InChIInChI=1S/C10H9N.C9H10N2.C8H9N3.C8H7NS.C7H7N3.5C2H6/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-5-8-3-4-11(2)9(8)10-6-7;1-6-3-7-5-10-11(2)8(7)9-4-6;1-6-4-8-7(9-5-6)2-3-10-8;1-6-4-8-7-2-3-9-10(7)5-6;5*1-2/h2-7H,1H3;3-6H,1-2H3;3-5H,1-2H3;2*2-5H,1H3;5*1-2H3
InChIKeyBJYWPUPDTXQIQO-UHFFFAOYSA-N
XLogP14.48
TPSA104.50 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500869.28
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[(3-Methyl-2-thienyl)-(2-pyridyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011489
6-[[6-(4-Methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 57691290
5,6,7-trimethyl-2-[3-(1H-pyrrol-1-yl)-2-thienyl]pyrazolo[1,5-a]pyrimidine
CID 3782424
6-[4-Amino-1-[[2-(2-methylpyrrolidin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515022
6-[4-Amino-1-[[2-(4-methylimidazol-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515028
3-(2-Amino-1-benzothiophen-6-yl)-1-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine
CID 121403202
7-[6-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
CID 142464136
2-Methyl-7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
CID 142464296
2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 1481417
7-(1,5-dimethyl-1H-pyrazol-4-yl)-2-[(5-phenyl-2H-tetrazol-2-yl)methyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19617252
1-(1-(6-fluoro-3-(5-fluoropyridin-3-yl)quinolin-2-yl)ethyl)-3-(thiazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 59634610
1-(1-(6-fluoro-3-(5-fluoropyridin-3-yl)quinolin-2-yl)ethyl)-3-(thiazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 59634682

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine?
The IUPAC name of 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine (CID 157372869) is 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine.
What is the SMILES notation for 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine?
The canonical SMILES for 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine is CC.CC.CC.CC.CC.Cc1cnc2c(ccn2C)c1.Cc1cnc2c(cnn2C)c1.Cc1cnc2ccccc2c1.Cc1cnc2ccnn2c1.Cc1cnc2ccsc2c1.
What is the InChIKey of 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine?
The InChIKey is BJYWPUPDTXQIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C9H10N2.C8H9N3.C8H7NS.C7H7N3.5C2H6/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-5-8-3-4-11(2)9(8)10-6-7;1-6-3-7-5-10-11(2)8(7)9-4-6;1-6-4-8-7(9-5-6)2-3-10-8;1-6-4-8-7-2-3-9-10(7)5-6;5*1-2/h2-7H,1H3;3-6H,1-2H3;3-5H,1-2H3;2*2-5H,1H3;5*1-2H3.
What are the key properties of 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine?
1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine has a molecular weight of 869.28 g/mol, XLogP of 14.48, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;ethane;6-methylpyrazolo[1,5-a]pyrimidine;3-methylquinoline;6-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 157372869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).