6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline

C40H32N12S — CID 160723923

IUPAC6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline
SMILESCC(C)(c1ccc2ncccc2c1)n1nnc2ccc(-c3cn[nH]c3)nc21.Cc1csc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C20H17N7.C20H15N5S/c1-20(2,15-5-6-16-13(10-15)4-3-9-21-16)27-19-18(25-26-27)8-7-17(24-19)14-11-22-23-12-14;1-13-9-19(26-12-13)17-6-7-18-20(22-17)25(24-23-18)11-14-4-5-16-15(10-14)3-2-8-21-16/h3-12H,1-2H3,(H,22,23);2-10,12H,11H2,1H3
InChIKeyRTLMNZFRQLJWHP-UHFFFAOYSA-N
MW712.85 g/mol
LogP8.01
Rot. Bonds6

About 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline

6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline (PubChem CID 160723923) has the molecular formula C40H32N12S and a molecular weight of 712.85 g/mol. Its IUPAC name is 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline.

Molecular Properties

Compound Name6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline
PubChem CID160723923
Molecular FormulaC40H32N12S
Molecular Weight712.85 g/mol
Exact Mass712.26
IUPAC Name6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline
SMILESCC(C)(c1ccc2ncccc2c1)n1nnc2ccc(-c3cn[nH]c3)nc21.Cc1csc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C20H17N7.C20H15N5S/c1-20(2,15-5-6-16-13(10-15)4-3-9-21-16)27-19-18(25-26-27)8-7-17(24-19)14-11-22-23-12-14;1-13-9-19(26-12-13)17-6-7-18-20(22-17)25(24-23-18)11-14-4-5-16-15(10-14)3-2-8-21-16/h3-12H,1-2H3,(H,22,23);2-10,12H,11H2,1H3
InChIKeyRTLMNZFRQLJWHP-UHFFFAOYSA-N
XLogP8.01
TPSA141.66 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline with MolForge

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Related Compounds

5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224684
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224696
5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224697
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(2-(piperidin-4-yl)ethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224698
5-(4-aminobutyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224701
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-isopropyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46226038
N-pyridin-3-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
CID 58189625
N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196
3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857744
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136495719
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136213907

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline?
The IUPAC name of 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline (CID 160723923) is 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline.
What is the SMILES notation for 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline?
The canonical SMILES for 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline is CC(C)(c1ccc2ncccc2c1)n1nnc2ccc(-c3cn[nH]c3)nc21.Cc1csc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1.
What is the InChIKey of 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline?
The InChIKey is RTLMNZFRQLJWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7.C20H15N5S/c1-20(2,15-5-6-16-13(10-15)4-3-9-21-16)27-19-18(25-26-27)8-7-17(24-19)14-11-22-23-12-14;1-13-9-19(26-12-13)17-6-7-18-20(22-17)25(24-23-18)11-14-4-5-16-15(10-14)3-2-8-21-16/h3-12H,1-2H3,(H,22,23);2-10,12H,11H2,1H3.
What are the key properties of 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline?
6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline has a molecular weight of 712.85 g/mol, XLogP of 8.01, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[2-[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]propan-2-yl]quinoline is sourced from PubChem (CID 160723923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).