4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C25H23FN8O4 — CID 118888937

IUPAC4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCc1nc(CNC(=O)c2cc(C3NC(=O)NC(C)=C3C(=O)Nc3ccc4[nH]ncc4c3)ccc2F)no1
InChIInChI=1S/C25H23FN8O4/c1-3-20-31-19(34-38-20)11-27-23(35)16-9-13(4-6-17(16)26)22-21(12(2)29-25(37)32-22)24(36)30-15-5-7-18-14(8-15)10-28-33-18/h4-10,22H,3,11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H2,29,32,37)
InChIKeyXBRPSBXARPNOBH-UHFFFAOYSA-N
MW518.51 g/mol
LogP2.84
Rot. Bonds7

About 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 118888937) has the molecular formula C25H23FN8O4 and a molecular weight of 518.51 g/mol. Its IUPAC name is 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID118888937
Molecular FormulaC25H23FN8O4
Molecular Weight518.51 g/mol
Exact Mass518.18
IUPAC Name4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCc1nc(CNC(=O)c2cc(C3NC(=O)NC(C)=C3C(=O)Nc3ccc4[nH]ncc4c3)ccc2F)no1
InChIInChI=1S/C25H23FN8O4/c1-3-20-31-19(34-38-20)11-27-23(35)16-9-13(4-6-17(16)26)22-21(12(2)29-25(37)32-22)24(36)30-15-5-7-18-14(8-15)10-28-33-18/h4-10,22H,3,11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H2,29,32,37)
InChIKeyXBRPSBXARPNOBH-UHFFFAOYSA-N
XLogP2.84
TPSA166.93 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.51
LogP ≤ 52.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 118888937) is 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCc1nc(CNC(=O)c2cc(C3NC(=O)NC(C)=C3C(=O)Nc3ccc4[nH]ncc4c3)ccc2F)no1.
What is the InChIKey of 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is XBRPSBXARPNOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O4/c1-3-20-31-19(34-38-20)11-27-23(35)16-9-13(4-6-17(16)26)22-21(12(2)29-25(37)32-22)24(36)30-15-5-7-18-14(8-15)10-28-33-18/h4-10,22H,3,11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H2,29,32,37).
What are the key properties of 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 518.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 118888937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).