5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten

C39H41Cl2N13O3S2W3 — CID 160814996

IUPAC5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten
SMILESC.Cc1nc2c(C(C)C)c(C(=O)O)cnc2s1.Cc1nc2c(C(C)C)c(CC(=O)Cc3cnc(-n4nccn4)c(Cl)c3)cnc2s1.Nc1cnc(-n2nccn2)c(Cl)c1.[W].[W].[W]
InChIInChI=1S/C20H19ClN6OS.C11H12N2O2S.C7H6ClN5.CH4.3W/c1-11(2)17-14(10-23-20-18(17)26-12(3)29-20)8-15(28)6-13-7-16(21)19(22-9-13)27-24-4-5-25-27;1-5(2)8-7(11(14)15)4-12-10-9(8)13-6(3)16-10;8-6-3-5(9)4-10-7(6)13-11-1-2-12-13;;;;/h4-5,7,9-11H,6,8H2,1-3H3;4-5H,1-3H3,(H,14,15);1-4H,9H2;1H4;;;
InChIKeySEUBYIBRHUMZDA-UHFFFAOYSA-N
MW1426.40 g/mol
LogP8.45
Rot. Bonds9

About 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten

5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten (PubChem CID 160814996) has the molecular formula C39H41Cl2N13O3S2W3 and a molecular weight of 1426.40 g/mol. Its IUPAC name is 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten.

Molecular Properties

Compound Name5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten
PubChem CID160814996
Molecular FormulaC39H41Cl2N13O3S2W3
Molecular Weight1426.40 g/mol
Exact Mass1425.08
IUPAC Name5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten
SMILESC.Cc1nc2c(C(C)C)c(C(=O)O)cnc2s1.Cc1nc2c(C(C)C)c(CC(=O)Cc3cnc(-n4nccn4)c(Cl)c3)cnc2s1.Nc1cnc(-n2nccn2)c(Cl)c1.[W].[W].[W]
InChIInChI=1S/C20H19ClN6OS.C11H12N2O2S.C7H6ClN5.CH4.3W/c1-11(2)17-14(10-23-20-18(17)26-12(3)29-20)8-15(28)6-13-7-16(21)19(22-9-13)27-24-4-5-25-27;1-5(2)8-7(11(14)15)4-12-10-9(8)13-6(3)16-10;8-6-3-5(9)4-10-7(6)13-11-1-2-12-13;;;;/h4-5,7,9-11H,6,8H2,1-3H3;4-5H,1-3H3,(H,14,15);1-4H,9H2;1H4;;;
InChIKeySEUBYIBRHUMZDA-UHFFFAOYSA-N
XLogP8.45
TPSA219.15 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001426.40
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten?
The IUPAC name of 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten (CID 160814996) is 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten.
What is the SMILES notation for 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten?
The canonical SMILES for 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten is C.Cc1nc2c(C(C)C)c(C(=O)O)cnc2s1.Cc1nc2c(C(C)C)c(CC(=O)Cc3cnc(-n4nccn4)c(Cl)c3)cnc2s1.Nc1cnc(-n2nccn2)c(Cl)c1.[W].[W].[W].
What is the InChIKey of 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten?
The InChIKey is SEUBYIBRHUMZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6OS.C11H12N2O2S.C7H6ClN5.CH4.3W/c1-11(2)17-14(10-23-20-18(17)26-12(3)29-20)8-15(28)6-13-7-16(21)19(22-9-13)27-24-4-5-25-27;1-5(2)8-7(11(14)15)4-12-10-9(8)13-6(3)16-10;8-6-3-5(9)4-10-7(6)13-11-1-2-12-13;;;;/h4-5,7,9-11H,6,8H2,1-3H3;4-5H,1-3H3,(H,14,15);1-4H,9H2;1H4;;;.
What are the key properties of 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten?
5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten has a molecular weight of 1426.40 g/mol, XLogP of 8.45, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(triazol-2-yl)pyridin-3-amine;1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one;methane;2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;tungsten is sourced from PubChem (CID 160814996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).