7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C181H147F16N43O35 — CID 159900649

IUPAC7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1cc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)ccc1F.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)cc1F.CC(F)Oc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)cc1.CC(F)Oc1ccccc1CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12.CC(F)Oc1cncc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)c1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(OC(C)(F)F)cc4)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccc4OC(C)(F)F)n4ncc(F)c4n3)cc21
InChIInChI=1S/2C26H21F3N6O5.C26H22F2N6O5.2C26H20F2N6O5.C26H22F2N6O5.C25H21F2N7O5/c1-26(28,29)40-16-6-3-14(4-7-16)11-31-24(37)20-10-18(33-22-17(27)13-32-35(20)22)23(36)30-12-15-5-8-21-19(9-15)34(2)25(38)39-21;1-26(28,29)40-20-6-4-3-5-15(20)12-31-24(37)19-10-17(33-22-16(27)13-32-35(19)22)23(36)30-11-14-7-8-21-18(9-14)34(2)25(38)39-21;1-14(27)38-17-6-3-15(4-7-17)11-30-25(36)21-10-19(32-23-18(28)13-31-34(21)23)24(35)29-12-16-5-8-22-20(9-16)33(2)26(37)39-22;1-13(35)16-7-14(3-5-17(16)27)10-30-25(37)21-9-19(32-23-18(28)12-31-34(21)23)24(36)29-11-15-4-6-22-20(8-15)33(2)26(38)39-22;1-13(35)16-5-3-14(7-17(16)27)10-30-25(37)21-9-19(32-23-18(28)12-31-34(21)23)24(36)29-11-15-4-6-22-20(8-15)33(2)26(38)39-22;1-14(27)38-21-6-4-3-5-16(21)12-30-25(36)20-10-18(32-23-17(28)13-31-34(20)23)24(35)29-11-15-7-8-22-19(9-15)33(2)26(37)39-22;1-13(26)38-16-5-15(8-28-11-16)10-30-24(36)20-7-18(32-22-17(27)12-31-34(20)22)23(35)29-9-14-3-4-21-19(6-14)33(2)25(37)39-21/h2*3-10,13H,11-12H2,1-2H3,(H,30,36)(H,31,37);3-10,13-14H,11-12H2,1-2H3,(H,29,35)(H,30,36);2*3-9,12H,10-11H2,1-2H3,(H,29,36)(H,30,37);3-10,13-14H,11-12H2,1-2H3,(H,29,35)(H,30,36);3-8,11-13H,9-10H2,1-2H3,(H,29,35)(H,30,36)
InChIKeyNVXJIDPUICDBML-UHFFFAOYSA-N
MW3788.40 g/mol
LogP19.36
Rot. Bonds54

About 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 159900649) has the molecular formula C181H147F16N43O35 and a molecular weight of 3788.40 g/mol. Its IUPAC name is 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID159900649
Molecular FormulaC181H147F16N43O35
Molecular Weight3788.40 g/mol
Exact Mass3786.08
IUPAC Name7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1cc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)ccc1F.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)cc1F.CC(F)Oc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)cc1.CC(F)Oc1ccccc1CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12.CC(F)Oc1cncc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)c1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(OC(C)(F)F)cc4)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccc4OC(C)(F)F)n4ncc(F)c4n3)cc21
InChIInChI=1S/2C26H21F3N6O5.C26H22F2N6O5.2C26H20F2N6O5.C26H22F2N6O5.C25H21F2N7O5/c1-26(28,29)40-16-6-3-14(4-7-16)11-31-24(37)20-10-18(33-22-17(27)13-32-35(20)22)23(36)30-12-15-5-8-21-19(9-15)34(2)25(38)39-21;1-26(28,29)40-20-6-4-3-5-15(20)12-31-24(37)19-10-17(33-22-16(27)13-32-35(19)22)23(36)30-11-14-7-8-21-18(9-14)34(2)25(38)39-21;1-14(27)38-17-6-3-15(4-7-17)11-30-25(36)21-10-19(32-23-18(28)13-31-34(21)23)24(35)29-12-16-5-8-22-20(9-16)33(2)26(37)39-22;1-13(35)16-7-14(3-5-17(16)27)10-30-25(37)21-9-19(32-23-18(28)12-31-34(21)23)24(36)29-11-15-4-6-22-20(8-15)33(2)26(38)39-22;1-13(35)16-5-3-14(7-17(16)27)10-30-25(37)21-9-19(32-23-18(28)12-31-34(21)23)24(36)29-11-15-4-6-22-20(8-15)33(2)26(38)39-22;1-14(27)38-21-6-4-3-5-16(21)12-30-25(36)20-10-18(32-23-17(28)13-31-34(20)23)24(35)29-11-15-7-8-22-19(9-15)33(2)26(37)39-22;1-13(26)38-16-5-15(8-28-11-16)10-30-24(36)20-7-18(32-22-17(27)12-31-34(20)22)23(35)29-9-14-3-4-21-19(6-14)33(2)25(37)39-21/h2*3-10,13H,11-12H2,1-2H3,(H,30,36)(H,31,37);3-10,13-14H,11-12H2,1-2H3,(H,29,35)(H,30,36);2*3-9,12H,10-11H2,1-2H3,(H,29,36)(H,30,37);3-10,13-14H,11-12H2,1-2H3,(H,29,35)(H,30,36);3-8,11-13H,9-10H2,1-2H3,(H,29,35)(H,30,36)
InChIKeyNVXJIDPUICDBML-UHFFFAOYSA-N
XLogP19.36
TPSA957.89 Ų
H-Bond Donors14
H-Bond Acceptors64
Rotatable Bonds54
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003788.40
LogP ≤ 519.36
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1064

Analyze 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-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-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 159900649) is 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1cc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)ccc1F.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)cc1F.CC(F)Oc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)cc1.CC(F)Oc1ccccc1CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2c(F)cnn12.CC(F)Oc1cncc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)c1.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(OC(C)(F)F)cc4)n4ncc(F)c4n3)cc21.Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccc4OC(C)(F)F)n4ncc(F)c4n3)cc21.
What is the InChIKey of 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is NVXJIDPUICDBML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H21F3N6O5.C26H22F2N6O5.2C26H20F2N6O5.C26H22F2N6O5.C25H21F2N7O5/c1-26(28,29)40-16-6-3-14(4-7-16)11-31-24(37)20-10-18(33-22-17(27)13-32-35(20)22)23(36)30-12-15-5-8-21-19(9-15)34(2)25(38)39-21;1-26(28,29)40-20-6-4-3-5-15(20)12-31-24(37)19-10-17(33-22-16(27)13-32-35(19)22)23(36)30-11-14-7-8-21-18(9-14)34(2)25(38)39-21;1-14(27)38-17-6-3-15(4-7-17)11-30-25(36)21-10-19(32-23-18(28)13-31-34(21)23)24(35)29-12-16-5-8-22-20(9-16)33(2)26(37)39-22;1-13(35)16-7-14(3-5-17(16)27)10-30-25(37)21-9-19(32-23-18(28)12-31-34(21)23)24(36)29-11-15-4-6-22-20(8-15)33(2)26(38)39-22;1-13(35)16-5-3-14(7-17(16)27)10-30-25(37)21-9-19(32-23-18(28)12-31-34(21)23)24(36)29-11-15-4-6-22-20(8-15)33(2)26(38)39-22;1-14(27)38-21-6-4-3-5-16(21)12-30-25(36)20-10-18(32-23-17(28)13-31-34(20)23)24(35)29-11-15-7-8-22-19(9-15)33(2)26(37)39-22;1-13(26)38-16-5-15(8-28-11-16)10-30-24(36)20-7-18(32-22-17(27)12-31-34(20)22)23(35)29-9-14-3-4-21-19(6-14)33(2)25(37)39-21/h2*3-10,13H,11-12H2,1-2H3,(H,30,36)(H,31,37);3-10,13-14H,11-12H2,1-2H3,(H,29,35)(H,30,36);2*3-9,12H,10-11H2,1-2H3,(H,29,36)(H,30,37);3-10,13-14H,11-12H2,1-2H3,(H,29,35)(H,30,36);3-8,11-13H,9-10H2,1-2H3,(H,29,35)(H,30,36).
What are the key properties of 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3788.40 g/mol, XLogP of 19.36, 54 rotatable bonds, 14 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(3-acetyl-4-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[5-(1-fluoroethoxy)-3-pyridinyl]methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 159900649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).