N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C114H96F4N22O14S3 — CID 123864752

About N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one

N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 123864752) has the molecular formula C114H96F4N22O14S3 and a molecular weight of 2170.35 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one
• PubChem CID: 123864752
• Molecular Formula: C114H96F4N22O14S3
• Molecular Weight: 2170.35 g/mol
• Exact Mass: 2168.66
• IUPAC Name: N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one
• SMILES: CN1CCN(C(=S)Nc2cc(Oc3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)ccn2)CC1.Cc1c(C(=O)Cc2ccc(Oc3ncnc4ccsc34)c(F)c2)c(=O)n(-c2ccccc2)n1C.O=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1)c1cc(-c2cnccn2)cn(-c2ccccc2)c1=O.O=C(Nc1ccc(Oc2ccnc(NC(=S)N3CCOCC3)c2)c(F)c1)c1cccn(-c2ccccc2)c1=O
• InChI: InChI=1S/C32H26FN7O4.C29H27FN6O3S.C28H24FN5O4S.C25H19FN4O3S/c33-26-17-22(8-9-28(26)44-24-10-11-36-29(18-24)38-32(43)39-14-4-5-15-39)37-30(41)25-16-21(27-19-34-12-13-35-27)20-40(31(25)42)23-6-2-1-3-7-23;1-34-14-16-35(17-15-34)29(40)33-26-19-22(11-12-31-26)39-25-10-9-20(18-24(25)30)32-27(37)23-8-5-13-36(28(23)38)21-6-3-2-4-7-21;29-23-17-19(31-26(35)22-7-4-12-34(27(22)36)20-5-2-1-3-6-20)8-9-24(23)38-21-10-11-30-25(18-21)32-28(39)33-13-15-37-16-14-33;1-15-22(25(32)30(29(15)2)17-6-4-3-5-7-17)20(31)13-16-8-9-21(18(26)12-16)33-24-23-19(10-11-34-23)27-14-28-24/h1-3,6-13,16-20H,4-5,14-15H2,(H,37,41)(H,36,38,43);2-13,18-19H,14-17H2,1H3,(H,32,37)(H,31,33,40);1-12,17-18H,13-16H2,(H,31,35)(H,30,32,39);3-12,14H,13H2,1-2H3
• InChIKey: WFPVGBGJCWAMTQ-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 399.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2170.35
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one?

The IUPAC name of N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 123864752) is N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

What is the SMILES notation for N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one?

The canonical SMILES for N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one is CN1CCN(C(=S)Nc2cc(Oc3ccc(NC(=O)c4cccn(-c5ccccc5)c4=O)cc3F)ccn2)CC1.Cc1c(C(=O)Cc2ccc(Oc3ncnc4ccsc34)c(F)c2)c(=O)n(-c2ccccc2)n1C.O=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1)c1cc(-c2cnccn2)cn(-c2ccccc2)c1=O.O=C(Nc1ccc(Oc2ccnc(NC(=S)N3CCOCC3)c2)c(F)c1)c1cccn(-c2ccccc2)c1=O.

What is the InChIKey of N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one?

The InChIKey is WFPVGBGJCWAMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN7O4.C29H27FN6O3S.C28H24FN5O4S.C25H19FN4O3S/c33-26-17-22(8-9-28(26)44-24-10-11-36-29(18-24)38-32(43)39-14-4-5-15-39)37-30(41)25-16-21(27-19-34-12-13-35-27)20-40(31(25)42)23-6-2-1-3-7-23;1-34-14-16-35(17-15-34)29(40)33-26-19-22(11-12-31-26)39-25-10-9-20(18-24(25)30)32-27(37)23-8-5-13-36(28(23)38)21-6-3-2-4-7-21;29-23-17-19(31-26(35)22-7-4-12-34(27(22)36)20-5-2-1-3-6-20)8-9-24(23)38-21-10-11-30-25(18-21)32-28(39)33-13-15-37-16-14-33;1-15-22(25(32)30(29(15)2)17-6-4-3-5-7-17)20(31)13-16-8-9-21(18(26)12-16)33-24-23-19(10-11-34-23)27-14-28-24/h1-3,6-13,16-20H,4-5,14-15H2,(H,37,41)(H,36,38,43);2-13,18-19H,14-17H2,1H3,(H,32,37)(H,31,33,40);1-12,17-18H,13-16H2,(H,31,35)(H,30,32,39);3-12,14H,13H2,1-2H3.

What are the key properties of N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one?

N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 2170.35 g/mol, XLogP of 19.15, 25 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[[2-[(4-methylpiperazine-1-carbothioyl)amino]-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(morpholine-4-carbothioylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide;N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide;4-[2-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 123864752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).