(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate

C197H208Br4Cl2F6N42O20S3 — CID 165064195

About (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate

(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate (PubChem CID 165064195) has the molecular formula C197H208Br4Cl2F6N42O20S3 and a molecular weight of 4084.82 g/mol. Its IUPAC name is (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate.

Molecular Properties

• Compound Name: (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate
• PubChem CID: 165064195
• Molecular Formula: C197H208Br4Cl2F6N42O20S3
• Molecular Weight: 4084.82 g/mol
• Exact Mass: 4077.17
• IUPAC Name: (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate
• SMILES: C#C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](n2ccc3c(N)ncc(F)c32)[C@H](O)[C@@H]1O.C=C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](n2ccc3c(N)ncc(F)c32)[C@H](O)[C@@H]1O.CCCCCOC(=O)Nc1ccc2ccc(CC[C@@]3(C)C[C@@H](c4snc5c(N)ccnc45)[C@H](O)[C@@H]3O)cc2n1.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](n2ccc3c(N)ncc(F)c32)[C@H](O)[C@@H]1O.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@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2snc3c(N)ccnc23)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@@H](c2snc3c(N)ccnc23)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C29H35N5O4S.C25H27BrFN5O3.C25H25BrFN5O2.C25H23BrFN5O2.C24H26ClFN6O3.C23H24BrN5O2S.C23H23ClF2N6O2.C23H25N5O2S/c1-3-4-5-14-38-28(37)33-22-9-8-18-7-6-17(15-21(18)32-22)10-12-29(2)16-19(25(35)27(29)36)26-24-23(34-39-26)20(30)11-13-31-24;1-35-12-25(6-4-13-2-3-14-9-16(26)24(29)31-18(14)8-13)10-19(21(33)22(25)34)32-7-5-15-20(32)17(27)11-30-23(15)28;2*1-2-25(7-5-13-3-4-14-10-16(26)24(29)31-18(14)9-13)11-19(21(33)22(25)34)32-8-6-15-20(32)17(27)12-30-23(15)28;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;1-23(6-4-11-2-3-12-9-14(24)22(26)28-16(12)8-11)10-13(19(30)21(23)31)20-18-17(29-32-20)15(25)5-7-27-18;1-23(3-2-10-4-14(25)11-6-13(24)21(27)31-16(11)5-10)8-12(19(33)20(23)34)17-7-15(26)18-22(28)29-9-30-32(17)18;1-23(8-6-12-2-3-13-4-5-17(25)27-16(13)10-12)11-14(20(29)22(23)30)21-19-18(28-31-21)15(24)7-9-26-19/h6-9,11,13,15,19,25,27,35-36H,3-5,10,12,14,16,30H2,1-2H3,(H,32,33,37);2-3,5,7-9,11,19,21-22,33-34H,4,6,10,12H2,1H3,(H2,28,30)(H2,29,31);2-4,6,8-10,12,19,21-22,33-34H,1,5,7,11H2,(H2,28,30)(H2,29,31);1,3-4,6,8-10,12,19,21-22,33-34H,5,7,11H2,(H2,28,30)(H2,29,31);2-3,6-8,11,14,20-21,33-34H,4-5,9-10H2,1H3,(H2,27,31)(H2,28,29,30);2-3,5,7-9,13,19,21,30-31H,4,6,10,25H2,1H3,(H2,26,28);4-7,9,12,19-20,33-34H,2-3,8H2,1H3,(H2,27,31)(H2,28,29,30);2-5,7,9-10,14,20,22,29-30H,6,8,11,24H2,1H3,(H2,25,27)/t19-,25+,27+,29+;3*19-,21+,22+,25+;14-,20-,21-,24-;13-,19+,21+,23+;12-,19-,20-,23-;14-,20+,22+,23+/m11110101/s1
• InChIKey: RRVPXMRVZPVIHT-ICGBJGGSSA-N
• XLogP: 29.88
• TPSA: 1065.07 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 64
• Rotatable Bonds: 42
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4084.82
LogP ≤ 5	29.88
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate?

The IUPAC name of (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate (CID 165064195) is (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate.

What is the SMILES notation for (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate?

The canonical SMILES for (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate is C#C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](n2ccc3c(N)ncc(F)c32)[C@H](O)[C@@H]1O.C=C[C@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](n2ccc3c(N)ncc(F)c32)[C@H](O)[C@@H]1O.CCCCCOC(=O)Nc1ccc2ccc(CC[C@@]3(C)C[C@@H](c4snc5c(N)ccnc45)[C@H](O)[C@@H]3O)cc2n1.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](n2ccc3c(N)ncc(F)c32)[C@H](O)[C@@H]1O.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@]1(CCc2ccc3cc(Br)c(N)nc3c2)C[C@@H](c2snc3c(N)ccnc23)[C@H](O)[C@@H]1O.C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@@H](c2snc3c(N)ccnc23)[C@H](O)[C@@H]1O.

What is the InChIKey of (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate?

The InChIKey is RRVPXMRVZPVIHT-ICGBJGGSSA-N. The full InChI is InChI=1S/C29H35N5O4S.C25H27BrFN5O3.C25H25BrFN5O2.C25H23BrFN5O2.C24H26ClFN6O3.C23H24BrN5O2S.C23H23ClF2N6O2.C23H25N5O2S/c1-3-4-5-14-38-28(37)33-22-9-8-18-7-6-17(15-21(18)32-22)10-12-29(2)16-19(25(35)27(29)36)26-24-23(34-39-26)20(30)11-13-31-24;1-35-12-25(6-4-13-2-3-14-9-16(26)24(29)31-18(14)8-13)10-19(21(33)22(25)34)32-7-5-15-20(32)17(27)11-30-23(15)28;2*1-2-25(7-5-13-3-4-14-10-16(26)24(29)31-18(14)9-13)11-19(21(33)22(25)34)32-8-6-15-20(32)17(27)12-30-23(15)28;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;1-23(6-4-11-2-3-12-9-14(24)22(26)28-16(12)8-11)10-13(19(30)21(23)31)20-18-17(29-32-20)15(25)5-7-27-18;1-23(3-2-10-4-14(25)11-6-13(24)21(27)31-16(11)5-10)8-12(19(33)20(23)34)17-7-15(26)18-22(28)29-9-30-32(17)18;1-23(8-6-12-2-3-13-4-5-17(25)27-16(13)10-12)11-14(20(29)22(23)30)21-19-18(28-31-21)15(24)7-9-26-19/h6-9,11,13,15,19,25,27,35-36H,3-5,10,12,14,16,30H2,1-2H3,(H,32,33,37);2-3,5,7-9,11,19,21-22,33-34H,4,6,10,12H2,1H3,(H2,28,30)(H2,29,31);2-4,6,8-10,12,19,21-22,33-34H,1,5,7,11H2,(H2,28,30)(H2,29,31);1,3-4,6,8-10,12,19,21-22,33-34H,5,7,11H2,(H2,28,30)(H2,29,31);2-3,6-8,11,14,20-21,33-34H,4-5,9-10H2,1H3,(H2,27,31)(H2,28,29,30);2-3,5,7-9,13,19,21,30-31H,4,6,10,25H2,1H3,(H2,26,28);4-7,9,12,19-20,33-34H,2-3,8H2,1H3,(H2,27,31)(H2,28,29,30);2-5,7,9-10,14,20,22,29-30H,6,8,11,24H2,1H3,(H2,25,27)/t19-,25+,27+,29+;3*19-,21+,22+,25+;14-,20-,21-,24-;13-,19+,21+,23+;12-,19-,20-,23-;14-,20+,22+,23+/m11110101/s1.

What are the key properties of (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate?

(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate has a molecular weight of 4084.82 g/mol, XLogP of 29.88, 42 rotatable bonds, 32 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethenylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-ethynylcyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-amino-7-fluoropyrrolo[3,2-c]pyridin-1-yl)-3-(methoxymethyl)cyclopentane-1,2-diol;(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-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-methylcyclopentane-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,5R)-3-[2-(2-aminoquinolin-7-yl)ethyl]-5-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-3-methylcyclopentane-1,2-diol;pentyl N-[7-[2-[(1S,2R,3S,4R)-4-(7-amino-[1,2]thiazolo[4,3-b]pyridin-3-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate is sourced from PubChem (CID 165064195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).