(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine

C105H105ClF4N20O5 — CID 163607088

About (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine

(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine (PubChem CID 163607088) has the molecular formula C105H105ClF4N20O5 and a molecular weight of 1838.57 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine.

Molecular Properties

• Compound Name: (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine
• PubChem CID: 163607088
• Molecular Formula: C105H105ClF4N20O5
• Molecular Weight: 1838.57 g/mol
• Exact Mass: 1836.82
• IUPAC Name: (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine
• SMILES: C=C(N[C@@H](C)c1ccccc1Cl)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1.C=C(N[C@@H](C)c1ccccc1F)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1.C=C(N[C@@H](C)c1ccccc1OC)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1.C=C(N[C@H](c1ccccc1)C(F)(F)F)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1
• InChI: InChI=1S/C27H29N5O2.C26H26ClN5O.C26H24F3N5O.C26H26FN5O/c1-18(22-6-4-5-7-26(22)33-3)31-19(2)27-29-15-20(16-30-27)23-8-9-25-24(23)14-21(17-28-25)32-10-12-34-13-11-32;1-17(21-5-3-4-6-24(21)27)31-18(2)26-29-14-19(15-30-26)22-7-8-25-23(22)13-20(16-28-25)32-9-11-33-12-10-32;1-17(33-24(26(27,28)29)18-5-3-2-4-6-18)25-31-14-19(15-32-25)21-7-8-23-22(21)13-20(16-30-23)34-9-11-35-12-10-34;1-17(21-5-3-4-6-24(21)27)31-18(2)26-29-14-19(15-30-26)22-7-8-25-23(22)13-20(16-28-25)32-9-11-33-12-10-32/h4-8,14-18,31H,2,9-13H2,1,3H3;3-7,13-17,31H,2,8-12H2,1H3;2-7,13-16,24,33H,1,8-12H2;3-7,13-17,31H,2,8-12H2,1H3/t18-;17-;24-;17-/m0010/s1
• InChIKey: HCSGPSOOZTVYPO-ZTIOSGFRSA-N
• XLogP: 17.41
• TPSA: 261.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1838.57
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine?

The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine (CID 163607088) is (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine.

What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine?

The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine is C=C(N[C@@H](C)c1ccccc1Cl)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1.C=C(N[C@@H](C)c1ccccc1F)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1.C=C(N[C@@H](C)c1ccccc1OC)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1.C=C(N[C@H](c1ccccc1)C(F)(F)F)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1.

What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine?

The InChIKey is HCSGPSOOZTVYPO-ZTIOSGFRSA-N. The full InChI is InChI=1S/C27H29N5O2.C26H26ClN5O.C26H24F3N5O.C26H26FN5O/c1-18(22-6-4-5-7-26(22)33-3)31-19(2)27-29-15-20(16-30-27)23-8-9-25-24(23)14-21(17-28-25)32-10-12-34-13-11-32;1-17(21-5-3-4-6-24(21)27)31-18(2)26-29-14-19(15-30-26)22-7-8-25-23(22)13-20(16-28-25)32-9-11-33-12-10-32;1-17(33-24(26(27,28)29)18-5-3-2-4-6-18)25-31-14-19(15-32-25)21-7-8-23-22(21)13-20(16-30-23)34-9-11-35-12-10-34;1-17(21-5-3-4-6-24(21)27)31-18(2)26-29-14-19(15-30-26)22-7-8-25-23(22)13-20(16-28-25)32-9-11-33-12-10-32/h4-8,14-18,31H,2,9-13H2,1,3H3;3-7,13-17,31H,2,8-12H2,1H3;2-7,13-16,24,33H,1,8-12H2;3-7,13-17,31H,2,8-12H2,1H3/t18-;17-;24-;17-/m0010/s1.

What are the key properties of (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine?

(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine has a molecular weight of 1838.57 g/mol, XLogP of 17.41, 25 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-fluorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1S)-1-(2-methoxyphenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine;(1R)-2,2,2-trifluoro-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]-1-phenylethanamine is sourced from PubChem (CID 163607088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).