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

C173H136F12N42O32 — CID 157118610

IUPAC7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)cc1F.CC(F)Oc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)cc1.CC(F)Oc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)c1.CC(F)Oc1ccccc1CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)cc1.Cc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)c1
InChIInChI=1S/C25H20F2N6O5.C25H18F2N6O5.2C25H20F2N6O5.C25H21FN6O4.C24H18F2N6O4.C24H19FN6O4/c1-13(26)37-16-5-2-14(3-6-16)10-29-24(35)20-9-19(31-22-17(27)12-30-33(20)22)23(34)28-11-15-4-7-21-18(8-15)32-25(36)38-21;1-12(34)15-4-2-13(6-16(15)26)9-29-24(36)20-8-19(31-22-17(27)11-30-33(20)22)23(35)28-10-14-3-5-21-18(7-14)32-25(37)38-21;1-13(26)37-16-4-2-3-14(7-16)10-29-24(35)20-9-19(31-22-17(27)12-30-33(20)22)23(34)28-11-15-5-6-21-18(8-15)32-25(36)38-21;1-13(26)37-20-5-3-2-4-15(20)11-29-24(35)19-9-18(31-22-16(27)12-30-33(19)22)23(34)28-10-14-6-7-21-17(8-14)32-25(36)38-21;1-13-3-6-16(7-4-13)14(2)29-24(34)20-10-19(30-22-17(26)12-28-32(20)22)23(33)27-11-15-5-8-21-18(9-15)31-25(35)36-21;1-12-6-13(2-4-15(12)25)9-28-23(34)19-8-18(30-21-16(26)11-29-32(19)21)22(33)27-10-14-3-5-20-17(7-14)31-24(35)36-20;1-13-3-2-4-14(7-13)10-27-23(33)19-9-18(29-21-16(25)12-28-31(19)21)22(32)26-11-15-5-6-20-17(8-15)30-24(34)35-20/h2-9,12-13H,10-11H2,1H3,(H,28,34)(H,29,35)(H,32,36);2-8,11H,9-10H2,1H3,(H,28,35)(H,29,36)(H,32,37);2*2-9,12-13H,10-11H2,1H3,(H,28,34)(H,29,35)(H,32,36);3-10,12,14H,11H2,1-2H3,(H,27,33)(H,29,34)(H,31,35);2-8,11H,9-10H2,1H3,(H,27,33)(H,28,34)(H,31,35);2-9,12H,10-11H2,1H3,(H,26,32)(H,27,33)(H,30,34)/t;;;;14-;;/m....0../s1
InChIKeyAHRQQWLYVHYMKA-PSTHUNEMSA-N
MW3543.23 g/mol
LogP19.19
Rot. Bonds49

About 7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 157118610) has the molecular formula C173H136F12N42O32 and a molecular weight of 3543.23 g/mol. Its IUPAC name is 7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID157118610
Molecular FormulaC173H136F12N42O32
Molecular Weight3543.23 g/mol
Exact Mass3541.01
IUPAC Name7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)cc1F.CC(F)Oc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)cc1.CC(F)Oc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)c1.CC(F)Oc1ccccc1CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)cc1.Cc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)c1
InChIInChI=1S/C25H20F2N6O5.C25H18F2N6O5.2C25H20F2N6O5.C25H21FN6O4.C24H18F2N6O4.C24H19FN6O4/c1-13(26)37-16-5-2-14(3-6-16)10-29-24(35)20-9-19(31-22-17(27)12-30-33(20)22)23(34)28-11-15-4-7-21-18(8-15)32-25(36)38-21;1-12(34)15-4-2-13(6-16(15)26)9-29-24(36)20-8-19(31-22-17(27)11-30-33(20)22)23(35)28-10-14-3-5-21-18(7-14)32-25(37)38-21;1-13(26)37-16-4-2-3-14(7-16)10-29-24(35)20-9-19(31-22-17(27)12-30-33(20)22)23(34)28-11-15-5-6-21-18(8-15)32-25(36)38-21;1-13(26)37-20-5-3-2-4-15(20)11-29-24(35)19-9-18(31-22-16(27)12-30-33(19)22)23(34)28-10-14-6-7-21-17(8-14)32-25(36)38-21;1-13-3-6-16(7-4-13)14(2)29-24(34)20-10-19(30-22-17(26)12-28-32(20)22)23(33)27-11-15-5-8-21-18(9-15)31-25(35)36-21;1-12-6-13(2-4-15(12)25)9-28-23(34)19-8-18(30-21-16(26)11-29-32(19)21)22(33)27-10-14-3-5-20-17(7-14)31-24(35)36-20;1-13-3-2-4-14(7-13)10-27-23(33)19-9-18(29-21-16(25)12-28-31(19)21)22(32)26-11-15-5-6-20-17(8-15)30-24(34)35-20/h2-9,12-13H,10-11H2,1H3,(H,28,34)(H,29,35)(H,32,36);2-8,11H,9-10H2,1H3,(H,28,35)(H,29,36)(H,32,37);2*2-9,12-13H,10-11H2,1H3,(H,28,34)(H,29,35)(H,32,36);3-10,12,14H,11H2,1-2H3,(H,27,33)(H,29,34)(H,31,35);2-8,11H,9-10H2,1H3,(H,27,33)(H,28,34)(H,31,35);2-9,12H,10-11H2,1H3,(H,26,32)(H,27,33)(H,30,34)/t;;;;14-;;/m....0../s1
InChIKeyAHRQQWLYVHYMKA-PSTHUNEMSA-N
XLogP19.19
TPSA985.49 Ų
H-Bond Donors21
H-Bond Acceptors53
Rotatable Bonds49
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003543.23
LogP ≤ 519.19
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1053

Analyze 7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-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-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 157118610) is 7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)cc1F.CC(F)Oc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)cc1.CC(F)Oc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)c1.CC(F)Oc1ccccc1CNC(=O)c1cc(C(=O)NCc2ccc3oc(=O)[nH]c3c2)nc2c(F)cnn12.Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)cc1.Cc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)[nH]c4c3)nc3c(F)cnn23)c1.
What is the InChIKey of 7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is AHRQQWLYVHYMKA-PSTHUNEMSA-N. The full InChI is InChI=1S/C25H20F2N6O5.C25H18F2N6O5.2C25H20F2N6O5.C25H21FN6O4.C24H18F2N6O4.C24H19FN6O4/c1-13(26)37-16-5-2-14(3-6-16)10-29-24(35)20-9-19(31-22-17(27)12-30-33(20)22)23(34)28-11-15-4-7-21-18(8-15)32-25(36)38-21;1-12(34)15-4-2-13(6-16(15)26)9-29-24(36)20-8-19(31-22-17(27)11-30-33(20)22)23(35)28-10-14-3-5-21-18(7-14)32-25(37)38-21;1-13(26)37-16-4-2-3-14(7-16)10-29-24(35)20-9-19(31-22-17(27)12-30-33(20)22)23(34)28-11-15-5-6-21-18(8-15)32-25(36)38-21;1-13(26)37-20-5-3-2-4-15(20)11-29-24(35)19-9-18(31-22-16(27)12-30-33(19)22)23(34)28-10-14-6-7-21-17(8-14)32-25(36)38-21;1-13-3-6-16(7-4-13)14(2)29-24(34)20-10-19(30-22-17(26)12-28-32(20)22)23(33)27-11-15-5-8-21-18(9-15)31-25(35)36-21;1-12-6-13(2-4-15(12)25)9-28-23(34)19-8-18(30-21-16(26)11-29-32(19)21)22(33)27-10-14-3-5-20-17(7-14)31-24(35)36-20;1-13-3-2-4-14(7-13)10-27-23(33)19-9-18(29-21-16(25)12-28-31(19)21)22(32)26-11-15-5-6-20-17(8-15)30-24(34)35-20/h2-9,12-13H,10-11H2,1H3,(H,28,34)(H,29,35)(H,32,36);2-8,11H,9-10H2,1H3,(H,28,35)(H,29,36)(H,32,37);2*2-9,12-13H,10-11H2,1H3,(H,28,34)(H,29,35)(H,32,36);3-10,12,14H,11H2,1-2H3,(H,27,33)(H,29,34)(H,31,35);2-8,11H,9-10H2,1H3,(H,27,33)(H,28,34)(H,31,35);2-9,12H,10-11H2,1H3,(H,26,32)(H,27,33)(H,30,34)/t;;;;14-;;/m....0../s1.
What are the key properties of 7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3543.23 g/mol, XLogP of 19.19, 49 rotatable bonds, 21 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[[3-(1-fluoroethoxy)phenyl]methyl]-5-N-[(2-oxo-3H-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-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(3-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 157118610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).