(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol

C24H26N6O3 — CID 146346395

IUPAC(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol
SMILESCc1cc2ccc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)cc2nc1N
InChIInChI=1S/C24H26N6O3/c1-12-8-14-3-2-13(10-17(14)29-20(12)25)9-15-4-6-24(32)18(31)23(33-19(15)24)30-7-5-16-21(26)27-11-28-22(16)30/h2-3,5,7-8,10-11,15,18-19,23,31-32H,4,6,9H2,1H3,(H2,25,29)(H2,26,27,28)/t15-,18-,19+,23+,24-/m0/s1
InChIKeyULYIYZUQPCKZDI-BSYOGBIBSA-N
MW446.51 g/mol
LogP2.09
Rot. Bonds3

About (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol

(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol (PubChem CID 146346395) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol.

Molecular Properties

Compound Name(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol
PubChem CID146346395
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol
SMILESCc1cc2ccc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)cc2nc1N
InChIInChI=1S/C24H26N6O3/c1-12-8-14-3-2-13(10-17(14)29-20(12)25)9-15-4-6-24(32)18(31)23(33-19(15)24)30-7-5-16-21(26)27-11-28-22(16)30/h2-3,5,7-8,10-11,15,18-19,23,31-32H,4,6,9H2,1H3,(H2,25,29)(H2,26,27,28)/t15-,18-,19+,23+,24-/m0/s1
InChIKeyULYIYZUQPCKZDI-BSYOGBIBSA-N
XLogP2.09
TPSA145.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol with MolForge

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Related Compounds

CID 126637809
CID 126637809
CID 155899161
CID 155899161
CID 126638123
CID 126638123
CID 126638557
CID 126638557
CID 146346262
CID 146346262
CID 146346302
CID 146346302
CID 156503431
CID 156503431
CID 156510928
CID 156510928
CID 156510938
CID 156510938
CID 156510960
CID 156510960
CID 168293463
CID 168293463
CID 126637780
CID 126637780

Frequently Asked Questions

What is the IUPAC name of (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol?
The IUPAC name of (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol (CID 146346395) is (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol.
What is the SMILES notation for (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol?
The canonical SMILES for (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol is Cc1cc2ccc(C[C@@H]3CC[C@@]4(O)[C@@H]3O[C@@H](n3ccc5c(N)ncnc53)[C@@H]4O)cc2nc1N.
What is the InChIKey of (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol?
The InChIKey is ULYIYZUQPCKZDI-BSYOGBIBSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-12-8-14-3-2-13(10-17(14)29-20(12)25)9-15-4-6-24(32)18(31)23(33-19(15)24)30-7-5-16-21(26)27-11-28-22(16)30/h2-3,5,7-8,10-11,15,18-19,23,31-32H,4,6,9H2,1H3,(H2,25,29)(H2,26,27,28)/t15-,18-,19+,23+,24-/m0/s1.
What are the key properties of (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol?
(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol has a molecular weight of 446.51 g/mol, XLogP of 2.09, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-methylquinolin-7-yl)methyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a-diol is sourced from PubChem (CID 146346395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).