6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one

C21H24N6O — CID 126929813

About 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one

6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126929813) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
• PubChem CID: 126929813
• Molecular Formula: C21H24N6O
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.20
• IUPAC Name: 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
• SMILES: O=c1ccc(-c2ccncc2)nn1CC1CN(Cc2n[nH]c3c2CCCC3)C1
• InChI: InChI=1S/C21H24N6O/c28-21-6-5-18(16-7-9-22-10-8-16)25-27(21)13-15-11-26(12-15)14-20-17-3-1-2-4-19(17)23-24-20/h5-10,15H,1-4,11-14H2,(H,23,24)
• InChIKey: BKPWWVLWVMSMJQ-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?

The IUPAC name of 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126929813) is 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one.

What is the SMILES notation for 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?

The canonical SMILES for 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CC1CN(Cc2n[nH]c3c2CCCC3)C1.

What is the InChIKey of 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?

The InChIKey is BKPWWVLWVMSMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21-6-5-18(16-7-9-22-10-8-16)25-27(21)13-15-11-26(12-15)14-20-17-3-1-2-4-19(17)23-24-20/h5-10,15H,1-4,11-14H2,(H,23,24).

What are the key properties of 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?

6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 376.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126929813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).