7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate

C179H161F12N31O26 — CID 158362022

IUPAC7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCC(=O)COC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cc(C(F)(F)F)ccc2F)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12.CCN1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5c4ccc(C(C)=O)c5C)n4ncc(F)c4n3)cc21.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12
InChIInChI=1S/C32H33N5O5.C31H29FN6O5.C30H24F5N5O5.C29H26FN5O4.C29H27N5O4.C28H22F5N5O3/c1-18-21-8-9-24(23(21)7-6-22(18)31(40)42-32(2,3)4)36-30(39)26-16-25(35-28-11-13-34-37(26)28)29(38)33-17-19-5-10-27-20(15-19)12-14-41-27;1-4-37-25-11-18(5-10-27(25)43-15-28(37)40)13-33-30(41)24-12-26(38-29(35-24)22(32)14-34-38)31(42)36-23-9-8-20-16(2)19(17(3)39)6-7-21(20)23;1-14(41)13-45-29(44)18-4-5-19-17(15(18)2)6-8-23(19)39-28(43)25-10-24(38-26-22(32)12-37-40(25)26)27(42)36-11-16-3-7-21(31)20(9-16)30(33,34)35;1-15-19(16(2)36)4-5-21-20(15)6-7-23(21)34-29(38)25-12-24(33-27-22(30)14-32-35(25)27)28(37)31-13-17-3-8-26-18(11-17)9-10-39-26;1-16-20(17(2)35)4-5-22-21(16)6-7-23(22)33-29(37)25-14-24(32-27-9-11-31-34(25)27)28(36)30-15-18-3-8-26-19(13-18)10-12-38-26;1-13-17(14(2)39)4-5-19-18(13)6-8-22(19)37-27(41)24-10-23(36-25-21(30)12-35-38(24)25)26(40)34-11-15-9-16(28(31,32)33)3-7-20(15)29/h5-7,10-11,13,15-16,24H,8-9,12,14,17H2,1-4H3,(H,33,38)(H,36,39);5-7,10-12,14,23H,4,8-9,13,15H2,1-3H3,(H,33,41)(H,36,42);3-5,7,9-10,12,23H,6,8,11,13H2,1-2H3,(H,36,42)(H,39,43);3-5,8,11-12,14,23H,6-7,9-10,13H2,1-2H3,(H,31,37)(H,34,38);3-5,8-9,11,13-14,23H,6-7,10,12,15H2,1-2H3,(H,30,36)(H,33,37);3-5,7,9-10,12,22H,6,8,11H2,1-2H3,(H,34,40)(H,37,41)/t24-;4*23-;22-/m000000/s1
InChIKeyGTOYCXUIPOYZQK-GAIDJSCASA-N
MW3390.42 g/mol
LogP24.24
Rot. Bonds39

About 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 158362022) has the molecular formula C179H161F12N31O26 and a molecular weight of 3390.42 g/mol. Its IUPAC name is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Name7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID158362022
Molecular FormulaC179H161F12N31O26
Molecular Weight3390.42 g/mol
Exact Mass3388.20
IUPAC Name7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCC(=O)COC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cc(C(F)(F)F)ccc2F)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12.CCN1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5c4ccc(C(C)=O)c5C)n4ncc(F)c4n3)cc21.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12
InChIInChI=1S/C32H33N5O5.C31H29FN6O5.C30H24F5N5O5.C29H26FN5O4.C29H27N5O4.C28H22F5N5O3/c1-18-21-8-9-24(23(21)7-6-22(18)31(40)42-32(2,3)4)36-30(39)26-16-25(35-28-11-13-34-37(26)28)29(38)33-17-19-5-10-27-20(15-19)12-14-41-27;1-4-37-25-11-18(5-10-27(25)43-15-28(37)40)13-33-30(41)24-12-26(38-29(35-24)22(32)14-34-38)31(42)36-23-9-8-20-16(2)19(17(3)39)6-7-21(20)23;1-14(41)13-45-29(44)18-4-5-19-17(15(18)2)6-8-23(19)39-28(43)25-10-24(38-26-22(32)12-37-40(25)26)27(42)36-11-16-3-7-21(31)20(9-16)30(33,34)35;1-15-19(16(2)36)4-5-21-20(15)6-7-23(21)34-29(38)25-12-24(33-27-22(30)14-32-35(25)27)28(37)31-13-17-3-8-26-18(11-17)9-10-39-26;1-16-20(17(2)35)4-5-22-21(16)6-7-23(22)33-29(37)25-14-24(32-27-9-11-31-34(25)27)28(36)30-15-18-3-8-26-19(13-18)10-12-38-26;1-13-17(14(2)39)4-5-19-18(13)6-8-22(19)37-27(41)24-10-23(36-25-21(30)12-35-38(24)25)26(40)34-11-15-9-16(28(31,32)33)3-7-20(15)29/h5-7,10-11,13,15-16,24H,8-9,12,14,17H2,1-4H3,(H,33,38)(H,36,39);5-7,10-12,14,23H,4,8-9,13,15H2,1-3H3,(H,33,41)(H,36,42);3-5,7,9-10,12,23H,6,8,11,13H2,1-2H3,(H,36,42)(H,39,43);3-5,8,11-12,14,23H,6-7,9-10,13H2,1-2H3,(H,31,37)(H,34,38);3-5,8-9,11,13-14,23H,6-7,10,12,15H2,1-2H3,(H,30,36)(H,33,37);3-5,7,9-10,12,22H,6,8,11H2,1-2H3,(H,34,40)(H,37,41)/t24-;4*23-;22-/m000000/s1
InChIKeyGTOYCXUIPOYZQK-GAIDJSCASA-N
XLogP24.24
TPSA725.52 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds39
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003390.42
LogP ≤ 524.24
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate (CID 158362022) is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate is CC(=O)COC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cc(C(F)(F)F)ccc2F)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2c(F)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12.CCN1C(=O)COc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5c4ccc(C(C)=O)c5C)n4ncc(F)c4n3)cc21.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)nc2ccnn12.
What is the InChIKey of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is GTOYCXUIPOYZQK-GAIDJSCASA-N. The full InChI is InChI=1S/C32H33N5O5.C31H29FN6O5.C30H24F5N5O5.C29H26FN5O4.C29H27N5O4.C28H22F5N5O3/c1-18-21-8-9-24(23(21)7-6-22(18)31(40)42-32(2,3)4)36-30(39)26-16-25(35-28-11-13-34-37(26)28)29(38)33-17-19-5-10-27-20(15-19)12-14-41-27;1-4-37-25-11-18(5-10-27(25)43-15-28(37)40)13-33-30(41)24-12-26(38-29(35-24)22(32)14-34-38)31(42)36-23-9-8-20-16(2)19(17(3)39)6-7-21(20)23;1-14(41)13-45-29(44)18-4-5-19-17(15(18)2)6-8-23(19)39-28(43)25-10-24(38-26-22(32)12-37-40(25)26)27(42)36-11-16-3-7-21(31)20(9-16)30(33,34)35;1-15-19(16(2)36)4-5-21-20(15)6-7-23(21)34-29(38)25-12-24(33-27-22(30)14-32-35(25)27)28(37)31-13-17-3-8-26-18(11-17)9-10-39-26;1-16-20(17(2)35)4-5-22-21(16)6-7-23(22)33-29(37)25-14-24(32-27-9-11-31-34(25)27)28(36)30-15-18-3-8-26-19(13-18)10-12-38-26;1-13-17(14(2)39)4-5-19-18(13)6-8-22(19)37-27(41)24-10-23(36-25-21(30)12-35-38(24)25)26(40)34-11-15-9-16(28(31,32)33)3-7-20(15)29/h5-7,10-11,13,15-16,24H,8-9,12,14,17H2,1-4H3,(H,33,38)(H,36,39);5-7,10-12,14,23H,4,8-9,13,15H2,1-3H3,(H,33,41)(H,36,42);3-5,7,9-10,12,23H,6,8,11,13H2,1-2H3,(H,36,42)(H,39,43);3-5,8,11-12,14,23H,6-7,9-10,13H2,1-2H3,(H,31,37)(H,34,38);3-5,8-9,11,13-14,23H,6-7,10,12,15H2,1-2H3,(H,30,36)(H,33,37);3-5,7,9-10,12,22H,6,8,11H2,1-2H3,(H,34,40)(H,37,41)/t24-;4*23-;22-/m000000/s1.
What are the key properties of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 3390.42 g/mol, XLogP of 24.24, 39 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;tert-butyl (1S)-1-[[5-(2,3-dihydro-1-benzofuran-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;2-oxopropyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 158362022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).