1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea

C20H22ClN9O3 — CID 166769846

About 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea

1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea (PubChem CID 166769846) has the molecular formula C20H22ClN9O3 and a molecular weight of 471.91 g/mol. Its IUPAC name is 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea.

Molecular Properties

• Compound Name: 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea
• PubChem CID: 166769846
• Molecular Formula: C20H22ClN9O3
• Molecular Weight: 471.91 g/mol
• Exact Mass: 471.15
• IUPAC Name: 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea
• SMILES: COCc1cnn(-c2ncc(NC(=O)Nc3cnn4cc(C)nc4c3C(C)OC)cc2Cl)n1
• InChI: InChI=1S/C20H22ClN9O3/c1-11-9-29-19(25-11)17(12(2)33-4)16(8-23-29)27-20(31)26-13-5-15(21)18(22-6-13)30-24-7-14(28-30)10-32-3/h5-9,12H,10H2,1-4H3,(H2,26,27,31)
• InChIKey: RYEHTIZIDOCWFS-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 133.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.91
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea?

The IUPAC name of 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea (CID 166769846) is 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea.

What is the SMILES notation for 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea?

The canonical SMILES for 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea is COCc1cnn(-c2ncc(NC(=O)Nc3cnn4cc(C)nc4c3C(C)OC)cc2Cl)n1.

What is the InChIKey of 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea?

The InChIKey is RYEHTIZIDOCWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN9O3/c1-11-9-29-19(25-11)17(12(2)33-4)16(8-23-29)27-20(31)26-13-5-15(21)18(22-6-13)30-24-7-14(28-30)10-32-3/h5-9,12H,10H2,1-4H3,(H2,26,27,31).

What are the key properties of 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea?

1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea has a molecular weight of 471.91 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea is sourced from PubChem (CID 166769846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).