7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine

C56H66F8N10O8 — CID 158622743

IUPAC7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
SMILESCC[C@H]1C[C@@H](c2c[nH]c3c(OC)ncnc23)C(F)(F)[C@@H]1C.CC[C@H]1C[C@H](c2c[nH]c3c(OC)ncnc23)C(F)(F)[C@@H]1C.O=c1[nH]cnc2c1CC=C2[C@@H]1CC(CO)[C@@H](O)C1(F)F.O=c1[nH]cnc2c1CC=C2[C@H]1CC(CO)[C@@H](O)C1(F)F
InChIInChI=1S/2C15H19F2N3O.2C13H14F2N2O3/c2*1-4-9-5-11(15(16,17)8(9)2)10-6-18-13-12(10)19-7-20-14(13)21-3;2*14-13(15)9(3-6(4-18)11(13)19)7-1-2-8-10(7)16-5-17-12(8)20/h2*6-9,11,18H,4-5H2,1-3H3;2*1,5-6,9,11,18-19H,2-4H2,(H,16,17,20)/t8-,9+,11+;8-,9+,11-;6?,9-,11+;6?,9-,11-/m1101/s1
InChIKeyHYEZSJNILQXPOT-PSRNSORWSA-N
MW1159.19 g/mol
LogP8.17
Rot. Bonds10

About 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine

7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 158622743) has the molecular formula C56H66F8N10O8 and a molecular weight of 1159.19 g/mol. Its IUPAC name is 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID158622743
Molecular FormulaC56H66F8N10O8
Molecular Weight1159.19 g/mol
Exact Mass1158.49
IUPAC Name7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
SMILESCC[C@H]1C[C@@H](c2c[nH]c3c(OC)ncnc23)C(F)(F)[C@@H]1C.CC[C@H]1C[C@H](c2c[nH]c3c(OC)ncnc23)C(F)(F)[C@@H]1C.O=c1[nH]cnc2c1CC=C2[C@@H]1CC(CO)[C@@H](O)C1(F)F.O=c1[nH]cnc2c1CC=C2[C@H]1CC(CO)[C@@H](O)C1(F)F
InChIInChI=1S/2C15H19F2N3O.2C13H14F2N2O3/c2*1-4-9-5-11(15(16,17)8(9)2)10-6-18-13-12(10)19-7-20-14(13)21-3;2*14-13(15)9(3-6(4-18)11(13)19)7-1-2-8-10(7)16-5-17-12(8)20/h2*6-9,11,18H,4-5H2,1-3H3;2*1,5-6,9,11,18-19H,2-4H2,(H,16,17,20)/t8-,9+,11+;8-,9+,11-;6?,9-,11+;6?,9-,11-/m1101/s1
InChIKeyHYEZSJNILQXPOT-PSRNSORWSA-N
XLogP8.17
TPSA274.02 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001159.19
LogP ≤ 58.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(7-[(1S,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one);(1R,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2S,3S,5S)-5-ethyl-2-[(4-methoxyphenyl)methoxy]-3-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;[(1R,2S,3S,5S)-3-ethyl-2-methyl-5-(4-oxo-3,5-dihydrocyclopenta[d]pyrimidin-7-yl)cyclopentyl] acetate
CID 158014827

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine (CID 158622743) is 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine is CC[C@H]1C[C@@H](c2c[nH]c3c(OC)ncnc23)C(F)(F)[C@@H]1C.CC[C@H]1C[C@H](c2c[nH]c3c(OC)ncnc23)C(F)(F)[C@@H]1C.O=c1[nH]cnc2c1CC=C2[C@@H]1CC(CO)[C@@H](O)C1(F)F.O=c1[nH]cnc2c1CC=C2[C@H]1CC(CO)[C@@H](O)C1(F)F.
What is the InChIKey of 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is HYEZSJNILQXPOT-PSRNSORWSA-N. The full InChI is InChI=1S/2C15H19F2N3O.2C13H14F2N2O3/c2*1-4-9-5-11(15(16,17)8(9)2)10-6-18-13-12(10)19-7-20-14(13)21-3;2*14-13(15)9(3-6(4-18)11(13)19)7-1-2-8-10(7)16-5-17-12(8)20/h2*6-9,11,18H,4-5H2,1-3H3;2*1,5-6,9,11,18-19H,2-4H2,(H,16,17,20)/t8-,9+,11+;8-,9+,11-;6?,9-,11+;6?,9-,11-/m1101/s1.
What are the key properties of 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 1159.19 g/mol, XLogP of 8.17, 10 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1R,3R)-2,2-difluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one;7-[(1S,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine;7-[(1R,3R,4S)-4-ethyl-2,2-difluoro-3-methylcyclopentyl]-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 158622743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).