3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

C16H16ClFN4O3 — CID 121017728

IUPAC3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCc1ncnc(OC2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)c1F
InChIInChI=1S/C16H16ClFN4O3/c1-2-12-13(18)15(21-8-20-12)25-10-3-4-22(7-10)16(24)9-5-11(17)14(23)19-6-9/h5-6,8,10H,2-4,7H2,1H3,(H,19,23)
InChIKeyNSUXBZMPTQAJKU-UHFFFAOYSA-N
MW366.78 g/mol
LogP1.81
Rot. Bonds4

About 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 121017728) has the molecular formula C16H16ClFN4O3 and a molecular weight of 366.78 g/mol. Its IUPAC name is 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID121017728
Molecular FormulaC16H16ClFN4O3
Molecular Weight366.78 g/mol
Exact Mass366.09
IUPAC Name3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCc1ncnc(OC2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)c1F
InChIInChI=1S/C16H16ClFN4O3/c1-2-12-13(18)15(21-8-20-12)25-10-3-4-22(7-10)16(24)9-5-11(17)14(23)19-6-9/h5-6,8,10H,2-4,7H2,1H3,(H,19,23)
InChIKeyNSUXBZMPTQAJKU-UHFFFAOYSA-N
XLogP1.81
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-(2-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-oxoethyl)-5,6-dimethylpyrimidin-4(3H)-one
CID 121017713
4-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)-1H-imidazol-2(3H)-one
CID 121017718
4-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 129355049
6-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)-2-methylpyridazin-3(2H)-one
CID 91815902
3-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)-1-methylpyridin-2(1H)-one
CID 119100442
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)pent-4-en-1-one
CID 119100448
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 119100453
3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)-N-isopropylpyrrolidine-1-carboxamide
CID 119100494
5-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)pyridin-2(1H)-one
CID 121017673
1-(3-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-3-oxopropyl)pyrimidine-2,4(1H,3H)-dione
CID 121017682
1-(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-3-methylbut-2-en-1-one
CID 121017717
N-(2-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-oxoethyl)acetamide
CID 121017721

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 121017728) is 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is CCc1ncnc(OC2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)c1F.
What is the InChIKey of 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NSUXBZMPTQAJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O3/c1-2-12-13(18)15(21-8-20-12)25-10-3-4-22(7-10)16(24)9-5-11(17)14(23)19-6-9/h5-6,8,10H,2-4,7H2,1H3,(H,19,23).
What are the key properties of 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 366.78 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 121017728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).