3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide

C23H27N5O3 — CID 126935330

About 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide

3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide (PubChem CID 126935330) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide
• PubChem CID: 126935330
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide
• SMILES: COc1c2ccc(C(=O)NC3CCC(n4nc5c(cc4=O)CCC5)CC3)cc2nn1C
• InChI: InChI=1S/C23H27N5O3/c1-27-23(31-2)18-11-6-15(12-20(18)25-27)22(30)24-16-7-9-17(10-8-16)28-21(29)13-14-4-3-5-19(14)26-28/h6,11-13,16-17H,3-5,7-10H2,1-2H3,(H,24,30)
• InChIKey: YJYMZIGYNXYGRG-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide?

The IUPAC name of 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide (CID 126935330) is 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide.

What is the SMILES notation for 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide?

The canonical SMILES for 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide is COc1c2ccc(C(=O)NC3CCC(n4nc5c(cc4=O)CCC5)CC3)cc2nn1C.

What is the InChIKey of 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide?

The InChIKey is YJYMZIGYNXYGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27-23(31-2)18-11-6-15(12-20(18)25-27)22(30)24-16-7-9-17(10-8-16)28-21(29)13-14-4-3-5-19(14)26-28/h6,11-13,16-17H,3-5,7-10H2,1-2H3,(H,24,30).

What are the key properties of 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide?

3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-2-methyl-N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]indazole-6-carboxamide is sourced from PubChem (CID 126935330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).