1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C93H103N27O10 — CID 157102780

IUPAC1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCC2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@@H]2CC[C@@H]2c2ncccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@@H]2CC[C@H]2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@H]2CC[C@@H]2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@H]2CC[C@H]2c2ncccn2)nc2c1cnn2C1CCOCC1
InChIInChI=1S/3C19H21N5O2.2C18H20N6O2/c3*25-19-15-11-21-24(12-6-9-26-10-7-12)18(15)22-17(23-19)14-5-4-13(14)16-3-1-2-8-20-16;2*25-18-14-10-21-24(11-4-8-26-9-5-11)17(14)22-16(23-18)13-3-2-12(13)15-19-6-1-7-20-15/h3*1-3,8,11-14H,4-7,9-10H2,(H,22,23,25);2*1,6-7,10-13H,2-5,8-9H2,(H,22,23,25)/t2*13-,14-;;2*12-,13+/m10.10/s1
InChIKeyAFYMPURQBSJNPX-BSPDRFRISA-N
MW1759.03 g/mol
LogP11.43
Rot. Bonds15

About 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 157102780) has the molecular formula C93H103N27O10 and a molecular weight of 1759.03 g/mol. Its IUPAC name is 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID157102780
Molecular FormulaC93H103N27O10
Molecular Weight1759.03 g/mol
Exact Mass1757.84
IUPAC Name1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCC2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@@H]2CC[C@@H]2c2ncccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@@H]2CC[C@H]2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@H]2CC[C@@H]2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@H]2CC[C@H]2c2ncccn2)nc2c1cnn2C1CCOCC1
InChIInChI=1S/3C19H21N5O2.2C18H20N6O2/c3*25-19-15-11-21-24(12-6-9-26-10-7-12)18(15)22-17(23-19)14-5-4-13(14)16-3-1-2-8-20-16;2*25-18-14-10-21-24(11-4-8-26-9-5-11)17(14)22-16(23-18)13-3-2-12(13)15-19-6-1-7-20-15/h3*1-3,8,11-14H,4-7,9-10H2,(H,22,23,25);2*1,6-7,10-13H,2-5,8-9H2,(H,22,23,25)/t2*13-,14-;;2*12-,13+/m10.10/s1
InChIKeyAFYMPURQBSJNPX-BSPDRFRISA-N
XLogP11.43
TPSA454.23 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds15
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001759.03
LogP ≤ 511.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one 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

6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 158202229
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158445712
6-[[2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridazin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-[4-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-[4-(trifluoromethyl)-1,2,4-triazol-4-ium-1-yl]phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 158461103
6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158808370
6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158885401
6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160281190
6-cyclopropyl-N-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-[3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160428067
6-[[2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridazin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-[4-(trifluoromethyl)-1,2,4-triazol-4-ium-1-yl]phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160912076
tert-butyl 3-(6-benzyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate;tert-butyl 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 3-[4-oxo-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 3-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(oxan-4-yl)-6-(1-phenylethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160989616
6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162189617
N-(1-cyclopropylethyl)-5-(3,3-difluoropiperidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropylethyl)-5-ethyl-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropylethyl)-7-ethyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropylethyl)-7-methyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-cyclopropylpropan-2-yl)-7-methyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163502094
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(2-fluoro-5-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-2-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-2-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-6-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-6-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163546851

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 157102780) is 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(C2CCC2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@@H]2CC[C@@H]2c2ncccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@@H]2CC[C@H]2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@H]2CC[C@@H]2c2ccccn2)nc2c1cnn2C1CCOCC1.O=c1[nH]c([C@H]2CC[C@H]2c2ncccn2)nc2c1cnn2C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AFYMPURQBSJNPX-BSPDRFRISA-N. The full InChI is InChI=1S/3C19H21N5O2.2C18H20N6O2/c3*25-19-15-11-21-24(12-6-9-26-10-7-12)18(15)22-17(23-19)14-5-4-13(14)16-3-1-2-8-20-16;2*25-18-14-10-21-24(11-4-8-26-9-5-11)17(14)22-16(23-18)13-3-2-12(13)15-19-6-1-7-20-15/h3*1-3,8,11-14H,4-7,9-10H2,(H,22,23,25);2*1,6-7,10-13H,2-5,8-9H2,(H,22,23,25)/t2*13-,14-;;2*12-,13+/m10.10/s1.
What are the key properties of 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1759.03 g/mol, XLogP of 11.43, 15 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-6-[(1R,2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyridin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 157102780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).