N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide

C23H29N7O3 — CID 135154031

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide (PubChem CID 135154031) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide
• PubChem CID: 135154031
• Molecular Formula: C23H29N7O3
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.23
• IUPAC Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide
• SMILES: COc1ccc(OC2CCN(c3nnc(C(=O)NCc4cc(C)n(C)n4)cc3C)CC2)cn1
• InChI: InChI=1S/C23H29N7O3/c1-15-11-20(23(31)25-13-17-12-16(2)29(3)28-17)26-27-22(15)30-9-7-18(8-10-30)33-19-5-6-21(32-4)24-14-19/h5-6,11-12,14,18H,7-10,13H2,1-4H3,(H,25,31)
• InChIKey: HRFHBGRXNLQPJS-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 107.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide?

The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide (CID 135154031) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide.

What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide?

The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide is COc1ccc(OC2CCN(c3nnc(C(=O)NCc4cc(C)n(C)n4)cc3C)CC2)cn1.

What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide?

The InChIKey is HRFHBGRXNLQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-15-11-20(23(31)25-13-17-12-16(2)29(3)28-17)26-27-22(15)30-9-7-18(8-10-30)33-19-5-6-21(32-4)24-14-19/h5-6,11-12,14,18H,7-10,13H2,1-4H3,(H,25,31).

What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide?

N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyridazine-3-carboxamide is sourced from PubChem (CID 135154031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).