N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol

C103H101F9IN23O8 — CID 165023439

About N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol

N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol (PubChem CID 165023439) has the molecular formula C103H101F9IN23O8 and a molecular weight of 2086.98 g/mol. Its IUPAC name is N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol.

Molecular Properties

• Compound Name: N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol
• PubChem CID: 165023439
• Molecular Formula: C103H101F9IN23O8
• Molecular Weight: 2086.98 g/mol
• Exact Mass: 2085.71
• IUPAC Name: N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol
• SMILES: COc1ccc(COc2ccc(F)cc2[C@@H](C)N)cc1.COc1ccc(COc2ccc(F)cc2[C@@H](C)Nc2ccn3nccc3n2)cc1.C[C@@H](Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1cc(F)ccc1OCCF.C[C@@H](Nc1ccn2ncc(I)c2n1)c1cc(F)ccc1OCCF.C[C@@H](Nc1ccn2nccc2n1)c1cc(F)ccc1O.C[C@@H](Nc1ccn2nccc2n1)c1cc(F)ccc1OCCF
• InChI: InChI=1S/C22H21FN4O2.C19H18F2N6O.C16H15F2IN4O.C16H16F2N4O.C16H18FNO2.C14H13FN4O/c1-15(25-21-10-12-27-22(26-21)9-11-24-27)19-13-17(23)5-8-20(19)29-14-16-3-6-18(28-2)7-4-16;1-12(15-8-14(21)2-3-17(15)28-7-5-20)25-18-4-6-27-19(26-18)16(11-24-27)13-9-22-23-10-13;1-10(12-8-11(18)2-3-14(12)24-7-5-17)21-15-4-6-23-16(22-15)13(19)9-20-23;1-11(13-10-12(18)2-3-14(13)23-9-6-17)20-15-5-8-22-16(21-15)4-7-19-22;1-11(18)15-9-13(17)5-8-16(15)20-10-12-3-6-14(19-2)7-4-12;1-9(11-8-10(15)2-3-12(11)20)17-13-5-7-19-14(18-13)4-6-16-19/h3-13,15H,14H2,1-2H3,(H,25,26);2-4,6,8-12H,5,7H2,1H3,(H,22,23)(H,25,26);2-4,6,8-10H,5,7H2,1H3,(H,21,22);2-5,7-8,10-11H,6,9H2,1H3,(H,20,21);3-9,11H,10,18H2,1-2H3;2-9,20H,1H3,(H,17,18)/t15-;12-;10-;2*11-;9-/m111111/s1
• InChIKey: LNDDLOYQKKCTRQ-DGIUVFPKSA-N
• XLogP: 21.97
• TPSA: 350.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2086.98
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol?

The IUPAC name of N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol (CID 165023439) is N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol.

What is the SMILES notation for N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol?

The canonical SMILES for N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol is COc1ccc(COc2ccc(F)cc2[C@@H](C)N)cc1.COc1ccc(COc2ccc(F)cc2[C@@H](C)Nc2ccn3nccc3n2)cc1.C[C@@H](Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1cc(F)ccc1OCCF.C[C@@H](Nc1ccn2ncc(I)c2n1)c1cc(F)ccc1OCCF.C[C@@H](Nc1ccn2nccc2n1)c1cc(F)ccc1O.C[C@@H](Nc1ccn2nccc2n1)c1cc(F)ccc1OCCF.

What is the InChIKey of N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol?

The InChIKey is LNDDLOYQKKCTRQ-DGIUVFPKSA-N. The full InChI is InChI=1S/C22H21FN4O2.C19H18F2N6O.C16H15F2IN4O.C16H16F2N4O.C16H18FNO2.C14H13FN4O/c1-15(25-21-10-12-27-22(26-21)9-11-24-27)19-13-17(23)5-8-20(19)29-14-16-3-6-18(28-2)7-4-16;1-12(15-8-14(21)2-3-17(15)28-7-5-20)25-18-4-6-27-19(26-18)16(11-24-27)13-9-22-23-10-13;1-10(12-8-11(18)2-3-14(12)24-7-5-17)21-15-4-6-23-16(22-15)13(19)9-20-23;1-11(13-10-12(18)2-3-14(13)23-9-6-17)20-15-5-8-22-16(21-15)4-7-19-22;1-11(18)15-9-13(17)5-8-16(15)20-10-12-3-6-14(19-2)7-4-12;1-9(11-8-10(15)2-3-12(11)20)17-13-5-7-19-14(18-13)4-6-16-19/h3-13,15H,14H2,1-2H3,(H,25,26);2-4,6,8-12H,5,7H2,1H3,(H,22,23)(H,25,26);2-4,6,8-10H,5,7H2,1H3,(H,21,22);2-5,7-8,10-11H,6,9H2,1H3,(H,20,21);3-9,11H,10,18H2,1-2H3;2-9,20H,1H3,(H,17,18)/t15-;12-;10-;2*11-;9-/m111111/s1.

What are the key properties of N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol?

N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol has a molecular weight of 2086.98 g/mol, XLogP of 21.97, 34 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[5-fluoro-2-(2-fluoroethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanamine;N-[(1R)-1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[(1R)-1-(pyrazolo[1,5-a]pyrimidin-5-ylamino)ethyl]phenol is sourced from PubChem (CID 165023439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).