4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol

C112H132ClF5N18O18 — CID 160918990

About 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol

4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol (PubChem CID 160918990) has the molecular formula C112H132ClF5N18O18 and a molecular weight of 2148.84 g/mol. Its IUPAC name is 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol
• PubChem CID: 160918990
• Molecular Formula: C112H132ClF5N18O18
• Molecular Weight: 2148.84 g/mol
• Exact Mass: 2146.96
• IUPAC Name: 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol
• SMILES: CC[C@H]1C[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@@H](F)[C@@H]1C.CC[C@H]1C[C@@H](c2c[nH]c3c(Cl)ncnc23)[C@@H](F)[C@@H]1C.COC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H](F)[C@@H]1OCc1ccc(OC)cc1.COC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@H](O)[C@@H]1OCc1ccc(OC)cc1.O=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12.O=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12
• InChI: InChI=1S/C30H34FN3O5.C30H35N3O6.C14H17ClFN3.C14H18FN3O.2C12H14FN3O3/c1-35-17-22-13-24(26(31)29(22)39-16-21-9-11-23(36-2)12-10-21)25-14-34(19-38-15-20-7-5-4-6-8-20)28-27(25)32-18-33-30(28)37-3;1-35-17-22-13-24(28(34)29(22)39-16-21-9-11-23(36-2)12-10-21)25-14-33(19-38-15-20-7-5-4-6-8-20)27-26(25)31-18-32-30(27)37-3;1-3-8-4-9(11(16)7(8)2)10-5-17-13-12(10)18-6-19-14(13)15;1-3-8-4-9(11(15)7(8)2)10-5-16-13-12(10)17-6-18-14(13)19;2*13-8-6(1-5(3-17)11(8)18)7-2-14-10-9(7)15-4-16-12(10)19/h4-12,14,18,22,24,26,29H,13,15-17,19H2,1-3H3;4-12,14,18,22,24,28-29,34H,13,15-17,19H2,1-3H3;5-9,11,17H,3-4H2,1-2H3;5-9,11,16H,3-4H2,1-2H3,(H,17,18,19);2*2,4-6,8,11,14,17-18H,1,3H2,(H,15,16,19)/t22-,24+,26-,29-;22-,24+,28+,29-;2*7-,8+,9+,11+;2*5-,6+,8-,11-/m111111/s1
• InChIKey: SRTYNCWABZQOTB-JHZUDKQESA-N
• XLogP: 16.55
• TPSA: 481.06 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.84
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol?

The IUPAC name of 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol (CID 160918990) is 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol.

What is the SMILES notation for 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol?

The canonical SMILES for 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol is CC[C@H]1C[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@@H](F)[C@@H]1C.CC[C@H]1C[C@@H](c2c[nH]c3c(Cl)ncnc23)[C@@H](F)[C@@H]1C.COC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H](F)[C@@H]1OCc1ccc(OC)cc1.COC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@H](O)[C@@H]1OCc1ccc(OC)cc1.O=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12.O=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12.

What is the InChIKey of 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol?

The InChIKey is SRTYNCWABZQOTB-JHZUDKQESA-N. The full InChI is InChI=1S/C30H34FN3O5.C30H35N3O6.C14H17ClFN3.C14H18FN3O.2C12H14FN3O3/c1-35-17-22-13-24(26(31)29(22)39-16-21-9-11-23(36-2)12-10-21)25-14-34(19-38-15-20-7-5-4-6-8-20)28-27(25)32-18-33-30(28)37-3;1-35-17-22-13-24(28(34)29(22)39-16-21-9-11-23(36-2)12-10-21)25-14-33(19-38-15-20-7-5-4-6-8-20)27-26(25)31-18-32-30(27)37-3;1-3-8-4-9(11(16)7(8)2)10-5-17-13-12(10)18-6-19-14(13)15;1-3-8-4-9(11(15)7(8)2)10-5-16-13-12(10)17-6-18-14(13)19;2*13-8-6(1-5(3-17)11(8)18)7-2-14-10-9(7)15-4-16-12(10)19/h4-12,14,18,22,24,26,29H,13,15-17,19H2,1-3H3;4-12,14,18,22,24,28-29,34H,13,15-17,19H2,1-3H3;5-9,11,17H,3-4H2,1-2H3;5-9,11,16H,3-4H2,1-2H3,(H,17,18,19);2*2,4-6,8,11,14,17-18H,1,3H2,(H,15,16,19)/t22-,24+,26-,29-;22-,24+,28+,29-;2*7-,8+,9+,11+;2*5-,6+,8-,11-/m111111/s1.

What are the key properties of 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol?

4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol has a molecular weight of 2148.84 g/mol, XLogP of 16.55, 32 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol is sourced from PubChem (CID 160918990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).