4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide

C21H19N11O2S — CID 162001262

About 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide

4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide (PubChem CID 162001262) has the molecular formula C21H19N11O2S and a molecular weight of 489.53 g/mol. Its IUPAC name is 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide
• PubChem CID: 162001262
• Molecular Formula: C21H19N11O2S
• Molecular Weight: 489.53 g/mol
• Exact Mass: 489.14
• IUPAC Name: 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(Nc2ccc3ncsc3n2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
• InChI: InChI=1S/C21H19N11O2S/c1-22-20(33)16-13(8-15(29-30-16)27-14-5-4-12-21(28-14)35-10-25-12)26-19-17(34-3)11(6-7-23-19)18-24-9-32(2)31-18/h4-10H,1-3H3,(H,22,33)(H2,23,26,27,28,29)
• InChIKey: YSFZNLZOHZNQNV-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 157.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.53
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide?

The IUPAC name of 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide (CID 162001262) is 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide.

What is the SMILES notation for 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide?

The canonical SMILES for 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccc3ncsc3n2)cc1Nc1nccc(-c2ncn(C)n2)c1OC.

What is the InChIKey of 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide?

The InChIKey is YSFZNLZOHZNQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N11O2S/c1-22-20(33)16-13(8-15(29-30-16)27-14-5-4-12-21(28-14)35-10-25-12)26-19-17(34-3)11(6-7-23-19)18-24-9-32(2)31-18/h4-10H,1-3H3,(H,22,33)(H2,23,26,27,28,29).

What are the key properties of 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide?

4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 162001262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).