N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite

C97H117F4N27O3S — CID 165022066

About N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite

N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite (PubChem CID 165022066) has the molecular formula C97H117F4N27O3S and a molecular weight of 1817.25 g/mol. Its IUPAC name is N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite.

Molecular Properties

• Compound Name: N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite
• PubChem CID: 165022066
• Molecular Formula: C97H117F4N27O3S
• Molecular Weight: 1817.25 g/mol
• Exact Mass: 1815.95
• IUPAC Name: N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite
• SMILES: C.C.C.CC(NC(=O)N1CCN(C)CC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CSF.C[C@@H](NC(=O)N1CCN(C)CC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@H](NC(=O)N1CCN(C)CC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
• InChI: InChI=1S/3C31H34FN9O.CH3FS.3CH4/c3*1-19(35-31(42)40-11-9-39(2)10-12-40)27-18-34-41-29(27)37-28(22-14-23(32)17-33-16-22)38-30(41)36-24-8-7-21-13-20-5-3-4-6-25(20)26(21)15-24;1-3-2;;;/h3*3-6,14,16-19,24H,7-13,15H2,1-2H3,(H,35,42)(H,36,37,38);1H3;3*1H4/t19?,24-;19-,24+;19-,24-;;;;/m101..../s1
• InChIKey: LHTKUFQHQHJPPM-LPIPRBDESA-N
• XLogP: 16.10
• TPSA: 310.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1817.25
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite?

The IUPAC name of N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite (CID 165022066) is N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite.

What is the SMILES notation for N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite?

The canonical SMILES for N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite is C.C.C.CC(NC(=O)N1CCN(C)CC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CSF.C[C@@H](NC(=O)N1CCN(C)CC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@H](NC(=O)N1CCN(C)CC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.

What is the InChIKey of N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite?

The InChIKey is LHTKUFQHQHJPPM-LPIPRBDESA-N. The full InChI is InChI=1S/3C31H34FN9O.CH3FS.3CH4/c3*1-19(35-31(42)40-11-9-39(2)10-12-40)27-18-34-41-29(27)37-28(22-14-23(32)17-33-16-22)38-30(41)36-24-8-7-21-13-20-5-3-4-6-25(20)26(21)15-24;1-3-2;;;/h3*3-6,14,16-19,24H,7-13,15H2,1-2H3,(H,35,42)(H,36,37,38);1H3;3*1H4/t19?,24-;19-,24+;19-,24-;;;;/m101..../s1.

What are the key properties of N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite?

N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite has a molecular weight of 1817.25 g/mol, XLogP of 16.10, 15 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]-4-methylpiperazine-1-carboxamide;methane;methyl thiohypofluorite is sourced from PubChem (CID 165022066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).