bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

C191H185F2N45O36 — CID 162132069

IUPACbis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCC(F)(F)C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.C[C@@H]1C[C@H]1C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.C[C@H]1C[C@H]1C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)C5CC5)c[nH]c34)cc2C1
InChIInChI=1S/2C22H21N5O4.2C22H23N5O4.C21H19N5O4.2C21H21N5O4.C20H17F2N5O4.C20H19N5O4/c2*1-11-4-15(11)21(29)27-16-8-23-19-18(16)25-10-26-20(19)22(30)24-7-12-2-3-17-13(5-12)6-14(28)9-31-17;2*1-2-3-4-18(29)27-16-10-23-20-19(16)25-12-26-21(20)22(30)24-9-13-5-6-17-14(7-13)8-15(28)11-31-17;27-14-6-13-5-11(1-4-16(13)30-9-14)7-23-21(29)19-18-17(24-10-25-19)15(8-22-18)26-20(28)12-2-3-12;2*1-2-3-17(28)26-15-9-22-19-18(15)24-11-25-20(19)21(29)23-8-12-4-5-16-13(6-12)7-14(27)10-30-16;1-20(21,22)19(30)27-13-7-23-16-15(13)25-9-26-17(16)18(29)24-6-10-2-3-14-11(4-10)5-12(28)8-31-14;1-2-16(27)25-14-8-21-18-17(14)23-10-24-19(18)20(28)22-7-11-3-4-15-12(5-11)6-13(26)9-29-15/h2*2-3,5,8,10-11,15,23H,4,6-7,9H2,1H3,(H,24,30)(H,27,29);2*5-7,10,12,23H,2-4,8-9,11H2,1H3,(H,24,30)(H,27,29);1,4-5,8,10,12,22H,2-3,6-7,9H2,(H,23,29)(H,26,28);2*4-6,9,11,22H,2-3,7-8,10H2,1H3,(H,23,29)(H,26,28);2-4,7,9,23H,5-6,8H2,1H3,(H,24,29)(H,27,30);3-5,8,10,21H,2,6-7,9H2,1H3,(H,22,28)(H,25,27)/t11-,15+;11-,15-;;;;;;;/m01......./s1
InChIKeyZIUFDULARMAGLJ-PNPVPYJESA-N
MW3724.86 g/mol
LogP18.74
Rot. Bonds51

About bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (PubChem CID 162132069) has the molecular formula C191H185F2N45O36 and a molecular weight of 3724.86 g/mol. Its IUPAC name is bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Namebis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
PubChem CID162132069
Molecular FormulaC191H185F2N45O36
Molecular Weight3724.86 g/mol
Exact Mass3722.40
IUPAC Namebis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
SMILESCC(F)(F)C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.C[C@@H]1C[C@H]1C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.C[C@H]1C[C@H]1C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)C5CC5)c[nH]c34)cc2C1
InChIInChI=1S/2C22H21N5O4.2C22H23N5O4.C21H19N5O4.2C21H21N5O4.C20H17F2N5O4.C20H19N5O4/c2*1-11-4-15(11)21(29)27-16-8-23-19-18(16)25-10-26-20(19)22(30)24-7-12-2-3-17-13(5-12)6-14(28)9-31-17;2*1-2-3-4-18(29)27-16-10-23-20-19(16)25-12-26-21(20)22(30)24-9-13-5-6-17-14(7-13)8-15(28)11-31-17;27-14-6-13-5-11(1-4-16(13)30-9-14)7-23-21(29)19-18-17(24-10-25-19)15(8-22-18)26-20(28)12-2-3-12;2*1-2-3-17(28)26-15-9-22-19-18(15)24-11-25-20(19)21(29)23-8-12-4-5-16-13(6-12)7-14(27)10-30-16;1-20(21,22)19(30)27-13-7-23-16-15(13)25-9-26-17(16)18(29)24-6-10-2-3-14-11(4-10)5-12(28)8-31-14;1-2-16(27)25-14-8-21-18-17(14)23-10-24-19(18)20(28)22-7-11-3-4-15-12(5-11)6-13(26)9-29-15/h2*2-3,5,8,10-11,15,23H,4,6-7,9H2,1H3,(H,24,30)(H,27,29);2*5-7,10,12,23H,2-4,8-9,11H2,1H3,(H,24,30)(H,27,29);1,4-5,8,10,12,22H,2-3,6-7,9H2,(H,23,29)(H,26,28);2*4-6,9,11,22H,2-3,7-8,10H2,1H3,(H,23,29)(H,26,28);2-4,7,9,23H,5-6,8H2,1H3,(H,24,29)(H,27,30);3-5,8,10,21H,2,6-7,9H2,1H3,(H,22,28)(H,25,27)/t11-,15+;11-,15-;;;;;;;/m01......./s1
InChIKeyZIUFDULARMAGLJ-PNPVPYJESA-N
XLogP18.74
TPSA1134.63 Ų
H-Bond Donors27
H-Bond Acceptors54
Rotatable Bonds51
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003724.86
LogP ≤ 518.74
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1054

Analyze bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[[4-(trifluoromethoxy)benzoyl]amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 148172200
7-[(4-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 148255372
7-[(3-fluorobenzoyl)amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 148521618
CID 157378840
CID 157378840
1-(1-benzofuran-5-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-1-[3-(1H-imidazol-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide;N-(2,6-difluorophenyl)-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide;1-[3-(furan-2-yl)benzoyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 157568883
N-[(3-oxo-4H-chromen-6-yl)methyl]-7-[(2,3,4,5,6-pentafluorobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 157885741
N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-phenyl-3-pyridinyl]formamide;3-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;4-[6-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]benzamide;5-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenylpyridine-3-carboxamide;4-[6-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-3-pyridinyl]benzamide;3-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]benzamide;5-[2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-2-(2,2,3-trifluorobutoxy)benzamide
CID 158246335
bis(7-(butanoylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158429568
7-[[2-(4-fluorophenyl)acetyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 158750989
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopentyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide
CID 159684710
N-[(1S)-1-cyclopropylethyl]-2-(3-fluoro-2-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3-fluoro-2-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-[3-(1,3-oxazol-2-yl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-4-methyl-N-(1,1,1-trifluoropropan-2-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-fluoro-5-methoxyphenyl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 160060668
bis(7-(butanoylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N'-tert-butyl-N-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]butanediamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;methane;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 160625382

Frequently Asked Questions

What is the IUPAC name of bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide (CID 162132069) is bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is CC(F)(F)C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.CCCCC(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.C[C@@H]1C[C@H]1C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.C[C@H]1C[C@H]1C(=O)Nc1c[nH]c2c(C(=O)NCc3ccc4c(c3)CC(=O)CO4)ncnc12.O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)C5CC5)c[nH]c34)cc2C1.
What is the InChIKey of bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is ZIUFDULARMAGLJ-PNPVPYJESA-N. The full InChI is InChI=1S/2C22H21N5O4.2C22H23N5O4.C21H19N5O4.2C21H21N5O4.C20H17F2N5O4.C20H19N5O4/c2*1-11-4-15(11)21(29)27-16-8-23-19-18(16)25-10-26-20(19)22(30)24-7-12-2-3-17-13(5-12)6-14(28)9-31-17;2*1-2-3-4-18(29)27-16-10-23-20-19(16)25-12-26-21(20)22(30)24-9-13-5-6-17-14(7-13)8-15(28)11-31-17;27-14-6-13-5-11(1-4-16(13)30-9-14)7-23-21(29)19-18-17(24-10-25-19)15(8-22-18)26-20(28)12-2-3-12;2*1-2-3-17(28)26-15-9-22-19-18(15)24-11-25-20(19)21(29)23-8-12-4-5-16-13(6-12)7-14(27)10-30-16;1-20(21,22)19(30)27-13-7-23-16-15(13)25-9-26-17(16)18(29)24-6-10-2-3-14-11(4-10)5-12(28)8-31-14;1-2-16(27)25-14-8-21-18-17(14)23-10-24-19(18)20(28)22-7-11-3-4-15-12(5-11)6-13(26)9-29-15/h2*2-3,5,8,10-11,15,23H,4,6-7,9H2,1H3,(H,24,30)(H,27,29);2*5-7,10,12,23H,2-4,8-9,11H2,1H3,(H,24,30)(H,27,29);1,4-5,8,10,12,22H,2-3,6-7,9H2,(H,23,29)(H,26,28);2*4-6,9,11,22H,2-3,7-8,10H2,1H3,(H,23,29)(H,26,28);2-4,7,9,23H,5-6,8H2,1H3,(H,24,29)(H,27,30);3-5,8,10,21H,2,6-7,9H2,1H3,(H,22,28)(H,25,27)/t11-,15+;11-,15-;;;;;;;/m01......./s1.
What are the key properties of bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide?
bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 3724.86 g/mol, XLogP of 18.74, 51 rotatable bonds, 27 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-(butanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);7-(cyclopropanecarbonylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-(2,2-difluoropropanoylamino)-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;7-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(3-oxo-4H-chromen-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide;bis(N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(pentanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide);N-[(3-oxo-4H-chromen-6-yl)methyl]-7-(propanoylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 162132069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).