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

IUPAC2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1
InChIInChI=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
InChIKeyGOALKWLTLDHVFM-MRXNPFEDSA-N
MW422.46 g/mol
LogP2.55
Rot. Bonds5

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 Name2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID124959542
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1
InChIInChI=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
InChIKeyGOALKWLTLDHVFM-MRXNPFEDSA-N
XLogP2.55
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).