6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide

C22H26N8O6S — CID 166585128

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide (PubChem CID 166585128) has the molecular formula C22H26N8O6S and a molecular weight of 530.57 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
• PubChem CID: 166585128
• Molecular Formula: C22H26N8O6S
• Molecular Weight: 530.57 g/mol
• Exact Mass: 530.17
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
• SMILES: COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1noc(CNS(=O)(=O)C(C)C)n1
• InChI: InChI=1S/C22H26N8O6S/c1-11(2)37(33,34)24-10-17-27-21(30-36-17)13-5-4-6-14(19(13)35-3)25-15-9-16(26-22(32)12-7-8-12)28-29-18(15)20(23)31/h4-6,9,11-12,24H,7-8,10H2,1-3H3,(H2,23,31)(H2,25,26,28,32)
• InChIKey: KXUVROSHAZLGQD-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 204.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.57
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide (CID 166585128) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1noc(CNS(=O)(=O)C(C)C)n1.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?

The InChIKey is KXUVROSHAZLGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O6S/c1-11(2)37(33,34)24-10-17-27-21(30-36-17)13-5-4-6-14(19(13)35-3)25-15-9-16(26-22(32)12-7-8-12)28-29-18(15)20(23)31/h4-6,9,11-12,24H,7-8,10H2,1-3H3,(H2,23,31)(H2,25,26,28,32).

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide has a molecular weight of 530.57 g/mol, XLogP of 1.55, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 166585128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).