2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

C44H50N16O3S2 — CID 161269958

About 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 161269958) has the molecular formula C44H50N16O3S2 and a molecular weight of 915.13 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• PubChem CID: 161269958
• Molecular Formula: C44H50N16O3S2
• Molecular Weight: 915.13 g/mol
• Exact Mass: 914.37
• IUPAC Name: 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
• SMILES: CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3sc(N4CCCCC4)nc3cn2)n1.O=C(O)c1cc2sc(N3CCCCC3)nc2cn1
• InChI: InChI=1S/C22H24N8OS.C12H13N3O2S.C10H13N5/c1-14(2)30-13-24-28-20(30)15-7-6-8-19(25-15)27-21(31)16-11-18-17(12-23-16)26-22(32-18)29-9-4-3-5-10-29;16-11(17)8-6-10-9(7-13-8)14-12(18-10)15-4-2-1-3-5-15;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,25,27,31);6-7H,1-5H2,(H,16,17);3-7H,1-2H3,(H2,11,13)
• InChIKey: VDRHXWXLNMBKKV-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 237.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	915.13
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The IUPAC name of 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 161269958) is 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

What is the SMILES notation for 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The canonical SMILES for 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3sc(N4CCCCC4)nc3cn2)n1.O=C(O)c1cc2sc(N3CCCCC3)nc2cn1.

What is the InChIKey of 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

The InChIKey is VDRHXWXLNMBKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8OS.C12H13N3O2S.C10H13N5/c1-14(2)30-13-24-28-20(30)15-7-6-8-19(25-15)27-21(31)16-11-18-17(12-23-16)26-22(32-18)29-9-4-3-5-10-29;16-11(17)8-6-10-9(7-13-8)14-12(18-10)15-4-2-1-3-5-15;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,25,27,31);6-7H,1-5H2,(H,16,17);3-7H,1-2H3,(H2,11,13).

What are the key properties of 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?

2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 915.13 g/mol, XLogP of 8.05, 9 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-piperidin-1-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide;2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 161269958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).