(7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C54H44Cl2F10N12O2 — CID 158678789

About (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

(7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 158678789) has the molecular formula C54H44Cl2F10N12O2 and a molecular weight of 1153.91 g/mol. Its IUPAC name is (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
• PubChem CID: 158678789
• Molecular Formula: C54H44Cl2F10N12O2
• Molecular Weight: 1153.91 g/mol
• Exact Mass: 1152.29
• IUPAC Name: (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
• SMILES: COc1cc(Nc2nc3c(c(N4CCC(F)(F)C4)n2)CC[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(Cl)c1.COc1cc(Nc2nc3c(c(N4CCC(F)(F)C4)n2)CC[C@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(Cl)c1
• InChI: InChI=1S/2C27H22ClF5N6O/c2*1-40-21-10-15(2-5-20(21)39-11-22(28)34-13-39)35-26-36-24-16(14-8-18(29)23(31)19(30)9-14)3-4-17(24)25(37-26)38-7-6-27(32,33)12-38/h2*2,5,8-11,13,16H,3-4,6-7,12H2,1H3,(H,35,36,37)/t2*16-/m10/s1
• InChIKey: IEVWICZKZJFLKN-RRHAQCGESA-N
• XLogP: 12.82
• TPSA: 136.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1153.91
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?

The IUPAC name of (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 158678789) is (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

What is the SMILES notation for (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?

The canonical SMILES for (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is COc1cc(Nc2nc3c(c(N4CCC(F)(F)C4)n2)CC[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(Cl)c1.COc1cc(Nc2nc3c(c(N4CCC(F)(F)C4)n2)CC[C@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(Cl)c1.

What is the InChIKey of (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?

The InChIKey is IEVWICZKZJFLKN-RRHAQCGESA-N. The full InChI is InChI=1S/2C27H22ClF5N6O/c2*1-40-21-10-15(2-5-20(21)39-11-22(28)34-13-39)35-26-36-24-16(14-8-18(29)23(31)19(30)9-14)3-4-17(24)25(37-26)38-7-6-27(32,33)12-38/h2*2,5,8-11,13,16H,3-4,6-7,12H2,1H3,(H,35,36,37)/t2*16-/m10/s1.

What are the key properties of (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?

(7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 1153.91 g/mol, XLogP of 12.82, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;(7S)-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-4-(3,3-difluoropyrrolidin-1-yl)-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 158678789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).