2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

C22H23FN6O2 — CID 124959542

About 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 124959542) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

• Compound Name: 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
• PubChem CID: 124959542
• Molecular Formula: C22H23FN6O2
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.19
• IUPAC Name: 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
• SMILES: Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1
• InChI: InChI=1S/C22H23FN6O2/c1-14-3-6-21(30)29(27-14)13-22(31)28-8-7-16(12-28)19-10-18(9-15(2)25-19)26-20-5-4-17(23)11-24-20/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,24,25,26)/t16-/m1/s1
• InChIKey: GOALKWLTLDHVFM-MRXNPFEDSA-N
• XLogP: 2.55
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?

The IUPAC name of 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (CID 124959542) is 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.

What is the SMILES notation for 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?

The canonical SMILES for 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1.

What is the InChIKey of 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?

The InChIKey is GOALKWLTLDHVFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-14-3-6-21(30)29(27-14)13-22(31)28-8-7-16(12-28)19-10-18(9-15(2)25-19)26-20-5-4-17(23)11-24-20/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H,24,25,26)/t16-/m1/s1.

What are the key properties of 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?

2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 422.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 124959542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).