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

C25H23FN8O4 — CID 118875297

IUPAC6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide
SMILESCCc1nc(CNC(=O)c2cc(C3C=C(C)N(C(=O)Nc4ccc5[nH]ncc5c4)C(=O)N3)ccc2F)no1
InChIInChI=1S/C25H23FN8O4/c1-3-22-31-21(33-38-22)12-27-23(35)17-10-14(4-6-18(17)26)20-8-13(2)34(25(37)30-20)24(36)29-16-5-7-19-15(9-16)11-28-32-19/h4-11,20H,3,12H2,1-2H3,(H,27,35)(H,28,32)(H,29,36)(H,30,37)
InChIKeyJPIYDYOPZNSXHM-UHFFFAOYSA-N
MW518.51 g/mol
LogP3.78
Rot. Bonds6

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

6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide (PubChem CID 118875297) has the molecular formula C25H23FN8O4 and a molecular weight of 518.51 g/mol. Its IUPAC name is 6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide
PubChem CID118875297
Molecular FormulaC25H23FN8O4
Molecular Weight518.51 g/mol
Exact Mass518.18
IUPAC Name6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide
SMILESCCc1nc(CNC(=O)c2cc(C3C=C(C)N(C(=O)Nc4ccc5[nH]ncc5c4)C(=O)N3)ccc2F)no1
InChIInChI=1S/C25H23FN8O4/c1-3-22-31-21(33-38-22)12-27-23(35)17-10-14(4-6-18(17)26)20-8-13(2)34(25(37)30-20)24(36)29-16-5-7-19-15(9-16)11-28-32-19/h4-11,20H,3,12H2,1-2H3,(H,27,35)(H,28,32)(H,29,36)(H,30,37)
InChIKeyJPIYDYOPZNSXHM-UHFFFAOYSA-N
XLogP3.78
TPSA158.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.51
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

[3-(5-(3-[(Dimethylamino)methyl](1H-1,2,4-triazol-5-YL))(1H-indazol-3-YL))phenyl]-N-(4-fluorophenyl)carboxamide
CID 20789070
US10023564, Example 24
CID 118888934
US10023564, Example 22
CID 118888937
N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164618063
4-[4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 145969519
4-[4-fluoro-3-[2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-2-oxoethyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888925
US10023564, Example 26
CID 118888935
US10233182, Example 55
CID 118417740
US10233182, Example 56
CID 118417876
US11066396, Example 397
CID 132257942
US11052091, Example 4
CID 135173996
N-methyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 137381948

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide (CID 118875297) is 6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide is CCc1nc(CNC(=O)c2cc(C3C=C(C)N(C(=O)Nc4ccc5[nH]ncc5c4)C(=O)N3)ccc2F)no1.
What is the InChIKey of 6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The InChIKey is JPIYDYOPZNSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O4/c1-3-22-31-21(33-38-22)12-27-23(35)17-10-14(4-6-18(17)26)20-8-13(2)34(25(37)30-20)24(36)29-16-5-7-19-15(9-16)11-28-32-19/h4-11,20H,3,12H2,1-2H3,(H,27,35)(H,28,32)(H,29,36)(H,30,37).
What are the key properties of 6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide?
6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide has a molecular weight of 518.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 118875297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).