N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide

C21H23N5O3 — CID 126935985

About N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide

N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide (PubChem CID 126935985) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide
• PubChem CID: 126935985
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide
• SMILES: O=C(NC1CCC(n2nc3c(cc2=O)COCC3)CC1)c1n[nH]c2ccccc12
• InChI: InChI=1S/C21H23N5O3/c27-19-11-13-12-29-10-9-17(13)25-26(19)15-7-5-14(6-8-15)22-21(28)20-16-3-1-2-4-18(16)23-24-20/h1-4,11,14-15H,5-10,12H2,(H,22,28)(H,23,24)
• InChIKey: PUVYQSMISRUZNL-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 101.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide (CID 126935985) is N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide is O=C(NC1CCC(n2nc3c(cc2=O)COCC3)CC1)c1n[nH]c2ccccc12.

What is the InChIKey of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide?

The InChIKey is PUVYQSMISRUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-19-11-13-12-29-10-9-17(13)25-26(19)15-7-5-14(6-8-15)22-21(28)20-16-3-1-2-4-18(16)23-24-20/h1-4,11,14-15H,5-10,12H2,(H,22,28)(H,23,24).

What are the key properties of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide?

N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 126935985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).