1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C112H111F14N25O10S — CID 165015139

About 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 165015139) has the molecular formula C112H111F14N25O10S and a molecular weight of 2265.32 g/mol. Its IUPAC name is 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
• PubChem CID: 165015139
• Molecular Formula: C112H111F14N25O10S
• Molecular Weight: 2265.32 g/mol
• Exact Mass: 2263.84
• IUPAC Name: 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
• SMILES: CC(=O)n1ccc(-c2cnn3ccc(NC(C)c4cc(F)ccc4OCCF)nc23)c1.CC(Nc1ccn2ncc(-c3ccn(C4CCOCC4)c3)c2n1)c1cc(F)ccc1OCCCF.CC(Nc1ccn2ncc(-c3ccn(S(C)(=O)=O)c3)c2n1)c1cc(F)ccc1OCCF.C[C@@H](Nc1ccn2ncc(-c3ccn(C)c3)c2n1)c1cc(F)ccc1OCC(F)(F)F.C[C@@H](Nc1ccn2ncc(-c3ccn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)(F)F
• InChI: InChI=1S/C26H29F2N5O2.C22H21F4N5O2.C22H21F2N5O2.C21H19F4N5O.C21H21F2N5O3S/c1-18(22-15-20(28)3-4-24(22)35-12-2-9-27)30-25-6-11-33-26(31-25)23(16-29-33)19-5-10-32(17-19)21-7-13-34-14-8-21;1-14(17-10-16(23)2-3-19(17)33-13-22(24,25)26)28-20-5-7-31-21(29-20)18(11-27-31)15-4-6-30(12-15)8-9-32;1-14(18-11-17(24)3-4-20(18)31-10-7-23)26-21-6-9-29-22(27-21)19(12-25-29)16-5-8-28(13-16)15(2)30;1-13(16-9-15(22)3-4-18(16)31-12-21(23,24)25)27-19-6-8-30-20(28-19)17(10-26-30)14-5-7-29(2)11-14;1-14(17-11-16(23)3-4-19(17)31-10-7-22)25-20-6-9-28-21(26-20)18(12-24-28)15-5-8-27(13-15)32(2,29)30/h3-6,10-11,15-18,21H,2,7-9,12-14H2,1H3,(H,30,31);2-7,10-12,14,32H,8-9,13H2,1H3,(H,28,29);3-6,8-9,11-14H,7,10H2,1-2H3,(H,26,27);3-11,13H,12H2,1-2H3,(H,27,28);3-6,8-9,11-14H,7,10H2,1-2H3,(H,25,26)/t;14-;;13-;/m.1.1./s1
• InChIKey: KHJOPVHKQIOWNY-RYAGDUGHSA-N
• XLogP: 23.22
• TPSA: 362.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2265.32
LogP ≤ 5	23.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The IUPAC name of 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 165015139) is 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

What is the SMILES notation for 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The canonical SMILES for 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is CC(=O)n1ccc(-c2cnn3ccc(NC(C)c4cc(F)ccc4OCCF)nc23)c1.CC(Nc1ccn2ncc(-c3ccn(C4CCOCC4)c3)c2n1)c1cc(F)ccc1OCCCF.CC(Nc1ccn2ncc(-c3ccn(S(C)(=O)=O)c3)c2n1)c1cc(F)ccc1OCCF.C[C@@H](Nc1ccn2ncc(-c3ccn(C)c3)c2n1)c1cc(F)ccc1OCC(F)(F)F.C[C@@H](Nc1ccn2ncc(-c3ccn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)(F)F.

What is the InChIKey of 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The InChIKey is KHJOPVHKQIOWNY-RYAGDUGHSA-N. The full InChI is InChI=1S/C26H29F2N5O2.C22H21F4N5O2.C22H21F2N5O2.C21H19F4N5O.C21H21F2N5O3S/c1-18(22-15-20(28)3-4-24(22)35-12-2-9-27)30-25-6-11-33-26(31-25)23(16-29-33)19-5-10-32(17-19)21-7-13-34-14-8-21;1-14(17-10-16(23)2-3-19(17)33-13-22(24,25)26)28-20-5-7-31-21(29-20)18(11-27-31)15-4-6-30(12-15)8-9-32;1-14(18-11-17(24)3-4-20(18)31-10-7-23)26-21-6-9-29-22(27-21)19(12-25-29)16-5-8-28(13-16)15(2)30;1-13(16-9-15(22)3-4-18(16)31-12-21(23,24)25)27-19-6-8-30-20(28-19)17(10-26-30)14-5-7-29(2)11-14;1-14(17-11-16(23)3-4-19(17)31-10-7-22)25-20-6-9-28-21(26-20)18(12-24-28)15-5-8-27(13-15)32(2,29)30/h3-6,10-11,15-18,21H,2,7-9,12-14H2,1H3,(H,30,31);2-7,10-12,14,32H,8-9,13H2,1H3,(H,28,29);3-6,8-9,11-14H,7,10H2,1-2H3,(H,26,27);3-11,13H,12H2,1-2H3,(H,27,28);3-6,8-9,11-14H,7,10H2,1-2H3,(H,25,26)/t;14-;;13-;/m.1.1./s1.

What are the key properties of 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 2265.32 g/mol, XLogP of 23.22, 38 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanone;N-[1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1-methylsulfonylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(3-fluoropropoxy)phenyl]ethyl]-3-[1-(oxan-4-yl)pyrrol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;2-[3-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrol-1-yl]ethanol;N-[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 165015139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).