6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C67H89N11O9 — CID 158783334

IUPAC6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCCCOc1cc(CC2CNC(=O)N2)ccc1OC.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2.Nc1cc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1
InChIInChI=1S/C20H25N3O.C18H24N2O3.C15H22N2O3.C14H18N4O2/c1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11;1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12;15-11-5-10-12(16-11)13(19)18(7-9-3-4-9)14(20)17(10)6-8-1-2-8/h4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21);5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18);5,8-9,16H,1-4,6-7,15H2/t;11-,13+,16+;;/m.1../s1
InChIKeyIRJAKYXJHVHTMJ-KXZIOZKOSA-N
MW1192.52 g/mol
LogP9.72
Rot. Bonds18

About 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 158783334) has the molecular formula C67H89N11O9 and a molecular weight of 1192.52 g/mol. Its IUPAC name is 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID158783334
Molecular FormulaC67H89N11O9
Molecular Weight1192.52 g/mol
Exact Mass1191.68
IUPAC Name6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCCCOc1cc(CC2CNC(=O)N2)ccc1OC.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2.Nc1cc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1
InChIInChI=1S/C20H25N3O.C18H24N2O3.C15H22N2O3.C14H18N4O2/c1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11;1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12;15-11-5-10-12(16-11)13(19)18(7-9-3-4-9)14(20)17(10)6-8-1-2-8/h4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21);5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18);5,8-9,16H,1-4,6-7,15H2/t;11-,13+,16+;;/m.1../s1
InChIKeyIRJAKYXJHVHTMJ-KXZIOZKOSA-N
XLogP9.72
TPSA243.12 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001192.52
LogP ≤ 59.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one with MolForge

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Related Compounds

8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 158056807
8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;4-[(2S)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine;methyl 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
CID 159706608

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 158783334) is 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCCCOc1cc(CC2CNC(=O)N2)ccc1OC.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2.Nc1cc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1.
What is the InChIKey of 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is IRJAKYXJHVHTMJ-KXZIOZKOSA-N. The full InChI is InChI=1S/C20H25N3O.C18H24N2O3.C15H22N2O3.C14H18N4O2/c1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11;1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12;15-11-5-10-12(16-11)13(19)18(7-9-3-4-9)14(20)17(10)6-8-1-2-8/h4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21);5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18);5,8-9,16H,1-4,6-7,15H2/t;11-,13+,16+;;/m.1../s1.
What are the key properties of 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 1192.52 g/mol, XLogP of 9.72, 18 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-bis(cyclopropylmethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 158783334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).