(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol

C145H147Br3Cl3F4N35O14 — CID 165108823

About (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol

(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol (PubChem CID 165108823) has the molecular formula C145H147Br3Cl3F4N35O14 and a molecular weight of 3026.06 g/mol. Its IUPAC name is (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol.

Molecular Properties

• Compound Name: (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol
• PubChem CID: 165108823
• Molecular Formula: C145H147Br3Cl3F4N35O14
• Molecular Weight: 3026.06 g/mol
• Exact Mass: 3019.84
• IUPAC Name: (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol
• SMILES: C#C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.C#C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.C=C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.C=C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.COC[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](n2ccc3c(N)ncc(F)c32)[C@H](O)[C@@H]1O.COC[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C25H26ClF2N5O3.C24H27BrN6O3.C24H25BrN6O2.C24H23BrN6O2.C24H24ClFN6O2.C24H22ClFN6O2/c1-36-11-25(4-2-12-6-16(27)14-8-15(26)24(30)32-18(14)7-12)9-19(21(34)22(25)35)33-5-3-13-20(33)17(28)10-31-23(13)29;1-34-11-24(7-6-13-2-3-14-9-16(25)22(26)30-17(14)8-13)10-15(20(32)21(24)33)18-4-5-19-23(27)28-12-29-31(18)19;2*1-2-24(8-7-13-3-4-14-10-16(25)22(26)30-17(14)9-13)11-15(20(32)21(24)33)18-5-6-19-23(27)28-12-29-31(18)19;2*1-2-24(6-5-12-7-16(26)13-9-15(25)22(27)31-17(13)8-12)10-14(20(33)21(24)34)18-3-4-19-23(28)29-11-30-32(18)19/h3,5-8,10,19,21-22,34-35H,2,4,9,11H2,1H3,(H2,29,31)(H2,30,32);2-5,8-9,12,15,20-21,32-33H,6-7,10-11H2,1H3,(H2,26,30)(H2,27,28,29);2-6,9-10,12,15,20-21,32-33H,1,7-8,11H2,(H2,26,30)(H2,27,28,29);1,3-6,9-10,12,15,20-21,32-33H,7-8,11H2,(H2,26,30)(H2,27,28,29);2-4,7-9,11,14,20-21,33-34H,1,5-6,10H2,(H2,27,31)(H2,28,29,30);1,3-4,7-9,11,14,20-21,33-34H,5-6,10H2,(H2,27,31)(H2,28,29,30)/t19-,21+,22+,25+;3*15-,20-,21-,24-;2*14-,20-,21-,24-/m100000/s1
• InChIKey: ZPIXSTKAQAMOSN-DOTWGCOHSA-N
• XLogP: 18.12
• TPSA: 819.57 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 49
• Rotatable Bonds: 30
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3026.06
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol?

The IUPAC name of (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol (CID 165108823) is (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol.

What is the SMILES notation for (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol?

The canonical SMILES for (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol is C#C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.C#C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.C=C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.C=C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.COC[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](n2ccc3c(N)ncc(F)c32)[C@H](O)[C@@H]1O.COC[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.

What is the InChIKey of (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol?

The InChIKey is ZPIXSTKAQAMOSN-DOTWGCOHSA-N. The full InChI is InChI=1S/C25H26ClF2N5O3.C24H27BrN6O3.C24H25BrN6O2.C24H23BrN6O2.C24H24ClFN6O2.C24H22ClFN6O2/c1-36-11-25(4-2-12-6-16(27)14-8-15(26)24(30)32-18(14)7-12)9-19(21(34)22(25)35)33-5-3-13-20(33)17(28)10-31-23(13)29;1-34-11-24(7-6-13-2-3-14-9-16(25)22(26)30-17(14)8-13)10-15(20(32)21(24)33)18-4-5-19-23(27)28-12-29-31(18)19;2*1-2-24(8-7-13-3-4-14-10-16(25)22(26)30-17(14)9-13)11-15(20(32)21(24)33)18-5-6-19-23(27)28-12-29-31(18)19;2*1-2-24(6-5-12-7-16(26)13-9-15(25)22(27)31-17(13)8-12)10-14(20(33)21(24)34)18-3-4-19-23(28)29-11-30-32(18)19/h3,5-8,10,19,21-22,34-35H,2,4,9,11H2,1H3,(H2,29,31)(H2,30,32);2-5,8-9,12,15,20-21,32-33H,6-7,10-11H2,1H3,(H2,26,30)(H2,27,28,29);2-6,9-10,12,15,20-21,32-33H,1,7-8,11H2,(H2,26,30)(H2,27,28,29);1,3-6,9-10,12,15,20-21,32-33H,7-8,11H2,(H2,26,30)(H2,27,28,29);2-4,7-9,11,14,20-21,33-34H,1,5-6,10H2,(H2,27,31)(H2,28,29,30);1,3-4,7-9,11,14,20-21,33-34H,5-6,10H2,(H2,27,31)(H2,28,29,30)/t19-,21+,22+,25+;3*15-,20-,21-,24-;2*14-,20-,21-,24-/m100000/s1.

What are the key properties of (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol?

(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol has a molecular weight of 3026.06 g/mol, XLogP of 18.12, 30 rotatable bonds, 24 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-1,2-diol is sourced from PubChem (CID 165108823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).