7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C219H192F3N41O36 — CID 157339895

IUPAC7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)cc1.CC(=O)c1ccccc1CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2ccnn12.CC(F)(F)Oc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)cc1.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2ccnn12.CN(C)C(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2ccnn12.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)cc1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C8C6C4C8C75)n4nccc4n3)cc2C1
InChIInChI=1S/C30H28N6O5.C28H25N5O4.C27H23F2N5O5.2C27H23N5O5.C27H23N5O4.C27H25N5O4.C26H22FN5O4/c1-35(2)28(40)30-23-20-24(30)22-25(30)21(23)29(20,22)12-32-27(39)17-9-16(34-19-5-6-33-36(17)19)26(38)31-10-13-3-4-18-14(7-13)8-15(37)11-41-18;1-27-19-22-20(27)24-21(27)23(19)28(22,24)11-30-26(36)16-8-15(32-18-4-5-31-33(16)18)25(35)29-9-12-2-3-17-13(6-12)7-14(34)10-37-17;1-27(28,29)39-20-5-2-16(3-6-20)13-31-26(37)22-12-21(33-24-8-9-32-34(22)24)25(36)30-14-17-4-7-23-18(10-17)11-19(35)15-38-23;1-16(33)19-5-2-17(3-6-19)13-29-27(36)23-12-22(31-25-8-9-30-32(23)25)26(35)28-14-18-4-7-24-20(10-18)11-21(34)15-37-24;1-16(33)21-5-3-2-4-18(21)14-29-27(36)23-12-22(31-25-8-9-30-32(23)25)26(35)28-13-17-6-7-24-19(10-17)11-20(34)15-37-24;33-13-6-12-5-11(1-2-16(12)36-9-13)8-28-25(34)14-7-15(32-17(31-14)3-4-30-32)26(35)29-10-27-22-19-18-20(22)24(27)21(18)23(19)27;1-16-3-6-19(7-4-16)17(2)30-27(35)23-13-22(31-25-9-10-29-32(23)25)26(34)28-14-18-5-8-24-20(11-18)12-21(33)15-36-24;1-15-8-16(2-4-20(15)27)12-29-26(35)22-11-21(31-24-6-7-30-32(22)24)25(34)28-13-17-3-5-23-18(9-17)10-19(33)14-36-23/h3-7,9,20-25H,8,10-12H2,1-2H3,(H,31,38)(H,32,39);2-6,8,19-24H,7,9-11H2,1H3,(H,29,35)(H,30,36);2-10,12H,11,13-15H2,1H3,(H,30,36)(H,31,37);2*2-10,12H,11,13-15H2,1H3,(H,28,35)(H,29,36);1-5,7,18-24H,6,8-10H2,(H,28,34)(H,29,35);3-11,13,17H,12,14-15H2,1-2H3,(H,28,34)(H,30,35);2-9,11H,10,12-14H2,1H3,(H,28,34)(H,29,35)/t;;;;;;17-;/m......0./s1
InChIKeyBGGVEGWPNHHSKU-OYLGVOMFSA-N
MW4031.19 g/mol
LogP16.81
Rot. Bonds53

About 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 157339895) has the molecular formula C219H192F3N41O36 and a molecular weight of 4031.19 g/mol. Its IUPAC name is 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID157339895
Molecular FormulaC219H192F3N41O36
Molecular Weight4031.19 g/mol
Exact Mass4028.44
IUPAC Name7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)cc1.CC(=O)c1ccccc1CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2ccnn12.CC(F)(F)Oc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)cc1.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2ccnn12.CN(C)C(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2ccnn12.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)cc1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C8C6C4C8C75)n4nccc4n3)cc2C1
InChIInChI=1S/C30H28N6O5.C28H25N5O4.C27H23F2N5O5.2C27H23N5O5.C27H23N5O4.C27H25N5O4.C26H22FN5O4/c1-35(2)28(40)30-23-20-24(30)22-25(30)21(23)29(20,22)12-32-27(39)17-9-16(34-19-5-6-33-36(17)19)26(38)31-10-13-3-4-18-14(7-13)8-15(37)11-41-18;1-27-19-22-20(27)24-21(27)23(19)28(22,24)11-30-26(36)16-8-15(32-18-4-5-31-33(16)18)25(35)29-9-12-2-3-17-13(6-12)7-14(34)10-37-17;1-27(28,29)39-20-5-2-16(3-6-20)13-31-26(37)22-12-21(33-24-8-9-32-34(22)24)25(36)30-14-17-4-7-23-18(10-17)11-19(35)15-38-23;1-16(33)19-5-2-17(3-6-19)13-29-27(36)23-12-22(31-25-8-9-30-32(23)25)26(35)28-14-18-4-7-24-20(10-18)11-21(34)15-37-24;1-16(33)21-5-3-2-4-18(21)14-29-27(36)23-12-22(31-25-8-9-30-32(23)25)26(35)28-13-17-6-7-24-19(10-17)11-20(34)15-37-24;33-13-6-12-5-11(1-2-16(12)36-9-13)8-28-25(34)14-7-15(32-17(31-14)3-4-30-32)26(35)29-10-27-22-19-18-20(22)24(27)21(18)23(19)27;1-16-3-6-19(7-4-16)17(2)30-27(35)23-13-22(31-25-9-10-29-32(23)25)26(34)28-14-18-5-8-24-20(11-18)12-21(33)15-36-24;1-15-8-16(2-4-20(15)27)12-29-26(35)22-11-21(31-24-6-7-30-32(22)24)25(34)28-13-17-3-5-23-18(9-17)10-19(33)14-36-23/h3-7,9,20-25H,8,10-12H2,1-2H3,(H,31,38)(H,32,39);2-6,8,19-24H,7,9-11H2,1H3,(H,29,35)(H,30,36);2-10,12H,11,13-15H2,1H3,(H,30,36)(H,31,37);2*2-10,12H,11,13-15H2,1H3,(H,28,35)(H,29,36);1-5,7,18-24H,6,8-10H2,(H,28,34)(H,29,35);3-11,13,17H,12,14-15H2,1-2H3,(H,28,34)(H,30,35);2-9,11H,10,12-14H2,1H3,(H,28,34)(H,29,35)/t;;;;;;17-;/m......0./s1
InChIKeyBGGVEGWPNHHSKU-OYLGVOMFSA-N
XLogP16.81
TPSA981.20 Ų
H-Bond Donors16
H-Bond Acceptors60
Rotatable Bonds53
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004031.19
LogP ≤ 516.81
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1060

Analyze 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 157339895) is 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)cc1.CC(=O)c1ccccc1CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2ccnn12.CC(F)(F)Oc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)cc1.CC12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2ccnn12.CN(C)C(=O)C12C3C4C1C1C2C3C41CNC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2ccnn12.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)CC(=O)CO4)nc3ccnn23)cc1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C8C6C4C8C75)n4nccc4n3)cc2C1.
What is the InChIKey of 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is BGGVEGWPNHHSKU-OYLGVOMFSA-N. The full InChI is InChI=1S/C30H28N6O5.C28H25N5O4.C27H23F2N5O5.2C27H23N5O5.C27H23N5O4.C27H25N5O4.C26H22FN5O4/c1-35(2)28(40)30-23-20-24(30)22-25(30)21(23)29(20,22)12-32-27(39)17-9-16(34-19-5-6-33-36(17)19)26(38)31-10-13-3-4-18-14(7-13)8-15(37)11-41-18;1-27-19-22-20(27)24-21(27)23(19)28(22,24)11-30-26(36)16-8-15(32-18-4-5-31-33(16)18)25(35)29-9-12-2-3-17-13(6-12)7-14(34)10-37-17;1-27(28,29)39-20-5-2-16(3-6-20)13-31-26(37)22-12-21(33-24-8-9-32-34(22)24)25(36)30-14-17-4-7-23-18(10-17)11-19(35)15-38-23;1-16(33)19-5-2-17(3-6-19)13-29-27(36)23-12-22(31-25-8-9-30-32(23)25)26(35)28-14-18-4-7-24-20(10-18)11-21(34)15-37-24;1-16(33)21-5-3-2-4-18(21)14-29-27(36)23-12-22(31-25-8-9-30-32(23)25)26(35)28-13-17-6-7-24-19(10-17)11-20(34)15-37-24;33-13-6-12-5-11(1-2-16(12)36-9-13)8-28-25(34)14-7-15(32-17(31-14)3-4-30-32)26(35)29-10-27-22-19-18-20(22)24(27)21(18)23(19)27;1-16-3-6-19(7-4-16)17(2)30-27(35)23-13-22(31-25-9-10-29-32(23)25)26(34)28-14-18-5-8-24-20(11-18)12-21(33)15-36-24;1-15-8-16(2-4-20(15)27)12-29-26(35)22-11-21(31-24-6-7-30-32(22)24)25(34)28-13-17-3-5-23-18(9-17)10-19(33)14-36-23/h3-7,9,20-25H,8,10-12H2,1-2H3,(H,31,38)(H,32,39);2-6,8,19-24H,7,9-11H2,1H3,(H,29,35)(H,30,36);2-10,12H,11,13-15H2,1H3,(H,30,36)(H,31,37);2*2-10,12H,11,13-15H2,1H3,(H,28,35)(H,29,36);1-5,7,18-24H,6,8-10H2,(H,28,34)(H,29,35);3-11,13,17H,12,14-15H2,1-2H3,(H,28,34)(H,30,35);2-9,11H,10,12-14H2,1H3,(H,28,34)(H,29,35)/t;;;;;;17-;/m......0./s1.
What are the key properties of 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 4031.19 g/mol, XLogP of 16.81, 53 rotatable bonds, 16 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(2-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cuban-1-ylmethyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(dimethylcarbamoyl)cuban-1-yl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 157339895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).