6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

C75H72F3N15O12 — CID 159081433

IUPAC6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C3=NOC(c4ccc(=O)n(C5CC5)c4)C3)nc(C)n2)ccc1F.COc1cc(CNC(=O)c2cc(C3=NO[C@@H](c4ccc(=O)n(C5CC5)c4)C3)nc(C)n2)ccc1F.COc1cc(CNC(=O)c2cc(C3=NO[C@H](c4ccc(=O)n(C5CC5)c4)C3)nc(C)n2)ccc1F
InChIInChI=1S/3C25H24FN5O4/c3*1-14-28-19(10-21(29-14)25(33)27-12-15-3-7-18(26)23(9-15)34-2)20-11-22(35-30-20)16-4-8-24(32)31(13-16)17-5-6-17/h3*3-4,7-10,13,17,22H,5-6,11-12H2,1-2H3,(H,27,33)/t2*22-;/m10./s1
InChIKeyKAXGWKXGQWRCKA-UNDSNRBDSA-N
MW1432.49 g/mol
LogP9.68
Rot. Bonds21

About 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 159081433) has the molecular formula C75H72F3N15O12 and a molecular weight of 1432.49 g/mol. Its IUPAC name is 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID159081433
Molecular FormulaC75H72F3N15O12
Molecular Weight1432.49 g/mol
Exact Mass1431.54
IUPAC Name6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C3=NOC(c4ccc(=O)n(C5CC5)c4)C3)nc(C)n2)ccc1F.COc1cc(CNC(=O)c2cc(C3=NO[C@@H](c4ccc(=O)n(C5CC5)c4)C3)nc(C)n2)ccc1F.COc1cc(CNC(=O)c2cc(C3=NO[C@H](c4ccc(=O)n(C5CC5)c4)C3)nc(C)n2)ccc1F
InChIInChI=1S/3C25H24FN5O4/c3*1-14-28-19(10-21(29-14)25(33)27-12-15-3-7-18(26)23(9-15)34-2)20-11-22(35-30-20)16-4-8-24(32)31(13-16)17-5-6-17/h3*3-4,7-10,13,17,22H,5-6,11-12H2,1-2H3,(H,27,33)/t2*22-;/m10./s1
InChIKeyKAXGWKXGQWRCKA-UNDSNRBDSA-N
XLogP9.68
TPSA323.10 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.49
LogP ≤ 59.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 159081433) is 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is COc1cc(CNC(=O)c2cc(C3=NOC(c4ccc(=O)n(C5CC5)c4)C3)nc(C)n2)ccc1F.COc1cc(CNC(=O)c2cc(C3=NO[C@@H](c4ccc(=O)n(C5CC5)c4)C3)nc(C)n2)ccc1F.COc1cc(CNC(=O)c2cc(C3=NO[C@H](c4ccc(=O)n(C5CC5)c4)C3)nc(C)n2)ccc1F.
What is the InChIKey of 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is KAXGWKXGQWRCKA-UNDSNRBDSA-N. The full InChI is InChI=1S/3C25H24FN5O4/c3*1-14-28-19(10-21(29-14)25(33)27-12-15-3-7-18(26)23(9-15)34-2)20-11-22(35-30-20)16-4-8-24(32)31(13-16)17-5-6-17/h3*3-4,7-10,13,17,22H,5-6,11-12H2,1-2H3,(H,27,33)/t2*22-;/m10./s1.
What are the key properties of 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 1432.49 g/mol, XLogP of 9.68, 21 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5R)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide;6-[(5S)-5-(1-cyclopropyl-6-oxo-3-pyridinyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 159081433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).