(1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid

C178H134F16N42O35 — CID 159983085

About (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid

(1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 159983085) has the molecular formula C178H134F16N42O35 and a molecular weight of 3725.26 g/mol. Its IUPAC name is (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

• Compound Name: (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
• PubChem CID: 159983085
• Molecular Formula: C178H134F16N42O35
• Molecular Weight: 3725.26 g/mol
• Exact Mass: 3722.97
• IUPAC Name: (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
• SMILES: N#CN/C(N)=N/c1cccc(CNC(=O)c2cc(C(=O)N[C@@H]3c4ccc(C(=O)O)cc4C[C@H]3O)n3ncc(F)c3n2)c1.O=C(O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2c(F)cnn12.O=C(O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2c(F)cnn12.O=C(O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)nc2c(F)cnn12.O=C(O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(F)c2)nc2c(F)cnn12.O=C(O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccnc(F)c2)nc2c(F)cnn12.[C-]#[N+]c1cc(CNC(=O)c2cc(C(=O)N[C@@H]3c4ccc(C(=O)O)cc4C[C@@H]3O)n3ncc(F)c3n2)ccn1
• InChI: InChI=1S/C27H22FN9O5.2C26H19F4N5O5.2C25H19F2N5O5.C25H18FN7O5.C24H18F2N6O5/c28-18-11-33-37-20(25(40)36-22-17-5-4-14(26(41)42)7-15(17)8-21(22)38)9-19(35-23(18)37)24(39)31-10-13-2-1-3-16(6-13)34-27(30)32-12-29;27-17-11-32-35-19(24(38)34-21-16-6-3-13(25(39)40)7-14(16)8-20(21)36)9-18(33-22(17)35)23(37)31-10-12-1-4-15(5-2-12)26(28,29)30;27-17-11-32-35-19(24(38)34-21-16-5-4-13(25(39)40)7-14(16)8-20(21)36)9-18(33-22(17)35)23(37)31-10-12-2-1-3-15(6-12)26(28,29)30;26-15-4-1-12(2-5-15)10-28-23(34)18-9-19(32-22(30-18)17(27)11-29-32)24(35)31-21-16-6-3-13(25(36)37)7-14(16)8-20(21)33;26-15-3-1-2-12(6-15)10-28-23(34)18-9-19(32-22(30-18)17(27)11-29-32)24(35)31-21-16-5-4-13(25(36)37)7-14(16)8-20(21)33;1-27-20-6-12(4-5-28-20)10-29-23(35)17-9-18(33-22(31-17)16(26)11-30-33)24(36)32-21-15-3-2-13(25(37)38)7-14(15)8-19(21)34;25-15-10-29-32-17(8-16(30-21(15)32)22(34)28-9-11-3-4-27-19(26)5-11)23(35)31-20-14-2-1-12(24(36)37)6-13(14)7-18(20)33/h1-7,9,11,21-22,38H,8,10H2,(H,31,39)(H,36,40)(H,41,42)(H3,30,32,34);2*1-7,9,11,20-21,36H,8,10H2,(H,31,37)(H,34,38)(H,39,40);2*1-7,9,11,20-21,33H,8,10H2,(H,28,34)(H,31,35)(H,36,37);2-7,9,11,19,21,34H,8,10H2,(H,29,35)(H,32,36)(H,37,38);1-6,8,10,18,20,33H,7,9H2,(H,28,34)(H,31,35)(H,36,37)/t21-,22-;4*20-,21+;19-,21+;18-,20+/m1000000/s1
• InChIKey: OGAFPGGOIFIOSU-ZOEQVQDMSA-N
• XLogP: 14.01
• TPSA: 1125.78 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 53
• Rotatable Bonds: 43
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3725.26
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid?

The IUPAC name of (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid (CID 159983085) is (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid.

What is the SMILES notation for (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid?

The canonical SMILES for (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid is N#CN/C(N)=N/c1cccc(CNC(=O)c2cc(C(=O)N[C@@H]3c4ccc(C(=O)O)cc4C[C@H]3O)n3ncc(F)c3n2)c1.O=C(O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2c(F)cnn12.O=C(O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nc2c(F)cnn12.O=C(O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)nc2c(F)cnn12.O=C(O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(F)c2)nc2c(F)cnn12.O=C(O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccnc(F)c2)nc2c(F)cnn12.[C-]#[N+]c1cc(CNC(=O)c2cc(C(=O)N[C@@H]3c4ccc(C(=O)O)cc4C[C@@H]3O)n3ncc(F)c3n2)ccn1.

What is the InChIKey of (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid?

The InChIKey is OGAFPGGOIFIOSU-ZOEQVQDMSA-N. The full InChI is InChI=1S/C27H22FN9O5.2C26H19F4N5O5.2C25H19F2N5O5.C25H18FN7O5.C24H18F2N6O5/c28-18-11-33-37-20(25(40)36-22-17-5-4-14(26(41)42)7-15(17)8-21(22)38)9-19(35-23(18)37)24(39)31-10-13-2-1-3-16(6-13)34-27(30)32-12-29;27-17-11-32-35-19(24(38)34-21-16-6-3-13(25(39)40)7-14(16)8-20(21)36)9-18(33-22(17)35)23(37)31-10-12-1-4-15(5-2-12)26(28,29)30;27-17-11-32-35-19(24(38)34-21-16-5-4-13(25(39)40)7-14(16)8-20(21)36)9-18(33-22(17)35)23(37)31-10-12-2-1-3-15(6-12)26(28,29)30;26-15-4-1-12(2-5-15)10-28-23(34)18-9-19(32-22(30-18)17(27)11-29-32)24(35)31-21-16-6-3-13(25(36)37)7-14(16)8-20(21)33;26-15-3-1-2-12(6-15)10-28-23(34)18-9-19(32-22(30-18)17(27)11-29-32)24(35)31-21-16-5-4-13(25(36)37)7-14(16)8-20(21)33;1-27-20-6-12(4-5-28-20)10-29-23(35)17-9-18(33-22(31-17)16(26)11-30-33)24(36)32-21-15-3-2-13(25(37)38)7-14(15)8-19(21)34;25-15-10-29-32-17(8-16(30-21(15)32)22(34)28-9-11-3-4-27-19(26)5-11)23(35)31-20-14-2-1-12(24(36)37)6-13(14)7-18(20)33/h1-7,9,11,21-22,38H,8,10H2,(H,31,39)(H,36,40)(H,41,42)(H3,30,32,34);2*1-7,9,11,20-21,36H,8,10H2,(H,31,37)(H,34,38)(H,39,40);2*1-7,9,11,20-21,33H,8,10H2,(H,28,34)(H,31,35)(H,36,37);2-7,9,11,19,21,34H,8,10H2,(H,29,35)(H,32,36)(H,37,38);1-6,8,10,18,20,33H,7,9H2,(H,28,34)(H,31,35)(H,36,37)/t21-,22-;4*20-,21+;19-,21+;18-,20+/m1000000/s1.

What are the key properties of (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid?

(1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 3725.26 g/mol, XLogP of 14.01, 43 rotatable bonds, 30 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-1-[[5-[[3-[[amino-(cyanoamino)methylidene]amino]phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(3-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-fluoro-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[(2-isocyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid;(1R,2S)-1-[[3-fluoro-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 159983085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).