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

C144H142Br3Cl3F8N36O14 — CID 164983713

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

(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-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-(methoxymethyl)cyclopentane-1,2-diol (PubChem CID 164983713) has the molecular formula C144H142Br3Cl3F8N36O14 and a molecular weight of 3099.01 g/mol. Its IUPAC name is (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-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-(methoxymethyl)cyclopentane-1,2-diol.

Molecular Properties

• Compound Name: (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-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-(methoxymethyl)cyclopentane-1,2-diol
• PubChem CID: 164983713
• Molecular Formula: C144H142Br3Cl3F8N36O14
• Molecular Weight: 3099.01 g/mol
• Exact Mass: 3092.80
• IUPAC Name: (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-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-(methoxymethyl)cyclopentane-1,2-diol
• SMILES: C#C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](c2cc(F)c3c(N)ncnn23)[C@H](O)[C@@H]1O.C#C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2cc(F)c3c(N)ncnn23)[C@H](O)[C@@H]1O.C=C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](c2cc(F)c3c(N)ncnn23)[C@H](O)[C@@H]1O.C=C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2cc(F)c3c(N)ncnn23)[C@H](O)[C@@H]1O.COC[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.COC[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2cc(F)c3c(N)ncnn23)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C24H26BrFN6O3.C24H24BrFN6O2.C24H22BrFN6O2.C24H23ClF2N6O2.C24H21ClF2N6O2.C24H26ClFN6O3/c1-35-10-24(5-4-12-2-3-13-7-15(25)22(27)31-17(13)6-12)9-14(20(33)21(24)34)18-8-16(26)19-23(28)29-11-30-32(18)19;2*1-2-24(6-5-12-3-4-13-8-15(25)22(27)31-17(13)7-12)10-14(20(33)21(24)34)18-9-16(26)19-23(28)29-11-30-32(18)19;2*1-2-24(4-3-11-5-15(26)12-7-14(25)22(28)32-17(12)6-11)9-13(20(34)21(24)35)18-8-16(27)19-23(29)30-10-31-33(18)19;1-35-10-24(5-4-12-6-16(26)13-8-15(25)22(27)31-17(13)7-12)9-14(20(33)21(24)34)18-2-3-19-23(28)29-11-30-32(18)19/h2-3,6-8,11,14,20-21,33-34H,4-5,9-10H2,1H3,(H2,27,31)(H2,28,29,30);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);2,5-8,10,13,20-21,34-35H,1,3-4,9H2,(H2,28,32)(H2,29,30,31);1,5-8,10,13,20-21,34-35H,3-4,9H2,(H2,28,32)(H2,29,30,31);2-3,6-8,11,14,20-21,33-34H,4-5,9-10H2,1H3,(H2,27,31)(H2,28,29,30)/t3*14-,20-,21-,24-;2*13-,20-,21-,24-;14-,20-,21-,24-/m000000/s1
• InChIKey: FVVQDKBAEPGQGG-ZUQPNWITSA-N
• XLogP: 17.91
• TPSA: 831.94 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 50
• Rotatable Bonds: 30
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3099.01
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	50

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

The IUPAC name of (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-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-(methoxymethyl)cyclopentane-1,2-diol (CID 164983713) is (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-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-(methoxymethyl)cyclopentane-1,2-diol.

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

The canonical SMILES for (1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-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-(methoxymethyl)cyclopentane-1,2-diol is C#C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](c2cc(F)c3c(N)ncnn23)[C@H](O)[C@@H]1O.C#C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2cc(F)c3c(N)ncnn23)[C@H](O)[C@@H]1O.C=C[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](c2cc(F)c3c(N)ncnn23)[C@H](O)[C@@H]1O.C=C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2cc(F)c3c(N)ncnn23)[C@H](O)[C@@H]1O.COC[C@]1(CCc2cc(F)c3cc(Cl)c(N)nc3c2)C[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O.COC[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2cc(F)c3c(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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-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-(methoxymethyl)cyclopentane-1,2-diol?

The InChIKey is FVVQDKBAEPGQGG-ZUQPNWITSA-N. The full InChI is InChI=1S/C24H26BrFN6O3.C24H24BrFN6O2.C24H22BrFN6O2.C24H23ClF2N6O2.C24H21ClF2N6O2.C24H26ClFN6O3/c1-35-10-24(5-4-12-2-3-13-7-15(25)22(27)31-17(13)6-12)9-14(20(33)21(24)34)18-8-16(26)19-23(28)29-11-30-32(18)19;2*1-2-24(6-5-12-3-4-13-8-15(25)22(27)31-17(13)7-12)10-14(20(33)21(24)34)18-9-16(26)19-23(28)29-11-30-32(18)19;2*1-2-24(4-3-11-5-15(26)12-7-14(25)22(28)32-17(12)6-11)9-13(20(34)21(24)35)18-8-16(27)19-23(29)30-10-31-33(18)19;1-35-10-24(5-4-12-6-16(26)13-8-15(25)22(27)31-17(13)7-12)9-14(20(33)21(24)34)18-2-3-19-23(28)29-11-30-32(18)19/h2-3,6-8,11,14,20-21,33-34H,4-5,9-10H2,1H3,(H2,27,31)(H2,28,29,30);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);2,5-8,10,13,20-21,34-35H,1,3-4,9H2,(H2,28,32)(H2,29,30,31);1,5-8,10,13,20-21,34-35H,3-4,9H2,(H2,28,32)(H2,29,30,31);2-3,6-8,11,14,20-21,33-34H,4-5,9-10H2,1H3,(H2,27,31)(H2,28,29,30)/t3*14-,20-,21-,24-;2*13-,20-,21-,24-;14-,20-,21-,24-/m000000/s1.

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

(1S,2R,3S,5S)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-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-(methoxymethyl)cyclopentane-1,2-diol has a molecular weight of 3099.01 g/mol, XLogP of 17.91, 30 rotatable bonds, 24 hydrogen bond donors, and 50 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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5S)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(4-amino-5-fluoropyrrolo[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-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-ethynylcyclopentane-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-(methoxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 164983713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).