(1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide)

C180H228N24O30 — CID 167556886

IUPAC(1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide)
SMILESCCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC4c5ccccc5OC(C)(C)C4(C)O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC4c5ccccc5OC(C)(C)C4(C)O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@@H]2C[C@H](OC)c3ccc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2C[C@@H](OC)c3ccc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@@H]2C)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@H]2C)C(N)=N1
InChIInChI=1S/6C30H38N4O5/c2*1-6-30(7-2)16-24(35)34(28(31)33-30)21-15-23(38-5)18-13-12-17(14-20(18)21)27(37)32-25-19-10-8-9-11-22(19)39-29(3,4)26(25)36;2*1-6-30(7-2)15-23(35)34(28(31)33-30)25-17(3)16-38-21-13-12-18(14-20(21)25)27(37)32-24-19-10-8-9-11-22(19)39-29(4,5)26(24)36;2*1-6-30(7-2)17-24(35)34(27(31)33-30)21-14-15-38-22-13-12-18(16-20(21)22)26(36)32-25-19-10-8-9-11-23(19)39-28(3,4)29(25,5)37/h2*8-14,21,23,25-26,36H,6-7,15-16H2,1-5H3,(H2,31,33)(H,32,37);2*8-14,17,24-26,36H,6-7,15-16H2,1-5H3,(H2,31,33)(H,32,37);2*8-13,16,21,25,37H,6-7,14-15,17H2,1-5H3,(H2,31,33)(H,32,36)/t21-,23+,25+,26-;21-,23+,25-,26+;17-,24+,25+,26-;17-,24-,25-,26+;2*21-,25?,29?/m010111/s1
InChIKeyDCWRQMUXVTZTSO-CTLSCENLSA-N
MW3207.94 g/mol
LogP23.60
Rot. Bonds32

About (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide)

(1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide) (PubChem CID 167556886) has the molecular formula C180H228N24O30 and a molecular weight of 3207.94 g/mol. Its IUPAC name is (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide).

Molecular Properties

Compound Name(1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide)
PubChem CID167556886
Molecular FormulaC180H228N24O30
Molecular Weight3207.94 g/mol
Exact Mass3205.71
IUPAC Name(1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide)
SMILESCCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC4c5ccccc5OC(C)(C)C4(C)O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC4c5ccccc5OC(C)(C)C4(C)O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@@H]2C[C@H](OC)c3ccc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2C[C@@H](OC)c3ccc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@@H]2C)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@H]2C)C(N)=N1
InChIInChI=1S/6C30H38N4O5/c2*1-6-30(7-2)16-24(35)34(28(31)33-30)21-15-23(38-5)18-13-12-17(14-20(18)21)27(37)32-25-19-10-8-9-11-22(19)39-29(3,4)26(25)36;2*1-6-30(7-2)15-23(35)34(28(31)33-30)25-17(3)16-38-21-13-12-18(14-20(21)25)27(37)32-24-19-10-8-9-11-22(19)39-29(4,5)26(24)36;2*1-6-30(7-2)17-24(35)34(27(31)33-30)21-14-15-38-22-13-12-18(16-20(21)22)26(36)32-25-19-10-8-9-11-23(19)39-28(3,4)29(25,5)37/h2*8-14,21,23,25-26,36H,6-7,15-16H2,1-5H3,(H2,31,33)(H,32,37);2*8-14,17,24-26,36H,6-7,15-16H2,1-5H3,(H2,31,33)(H,32,37);2*8-13,16,21,25,37H,6-7,14-15,17H2,1-5H3,(H2,31,33)(H,32,36)/t21-,23+,25+,26-;21-,23+,25-,26+;17-,24+,25+,26-;17-,24-,25-,26+;2*21-,25?,29?/m010111/s1
InChIKeyDCWRQMUXVTZTSO-CTLSCENLSA-N
XLogP23.60
TPSA758.88 Ų
H-Bond Donors18
H-Bond Acceptors42
Rotatable Bonds32
Heavy Atoms234
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003207.94
LogP ≤ 523.60
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1042

Analyze (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide)?
The IUPAC name of (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide) (CID 167556886) is (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide).
What is the SMILES notation for (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide)?
The canonical SMILES for (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide) is CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC4c5ccccc5OC(C)(C)C4(C)O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC4c5ccccc5OC(C)(C)C4(C)O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@@H]2C[C@H](OC)c3ccc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2C[C@@H](OC)c3ccc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@@H]2C)C(N)=N1.CCC1(CC)CC(=O)N([C@H]2c3cc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)ccc3OC[C@H]2C)C(N)=N1.
What is the InChIKey of (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide)?
The InChIKey is DCWRQMUXVTZTSO-CTLSCENLSA-N. The full InChI is InChI=1S/6C30H38N4O5/c2*1-6-30(7-2)16-24(35)34(28(31)33-30)21-15-23(38-5)18-13-12-17(14-20(18)21)27(37)32-25-19-10-8-9-11-22(19)39-29(3,4)26(25)36;2*1-6-30(7-2)15-23(35)34(28(31)33-30)25-17(3)16-38-21-13-12-18(14-20(21)25)27(37)32-24-19-10-8-9-11-22(19)39-29(4,5)26(24)36;2*1-6-30(7-2)17-24(35)34(27(31)33-30)21-14-15-38-22-13-12-18(16-20(21)22)26(36)32-25-19-10-8-9-11-23(19)39-28(3,4)29(25,5)37/h2*8-14,21,23,25-26,36H,6-7,15-16H2,1-5H3,(H2,31,33)(H,32,37);2*8-14,17,24-26,36H,6-7,15-16H2,1-5H3,(H2,31,33)(H,32,37);2*8-13,16,21,25,37H,6-7,14-15,17H2,1-5H3,(H2,31,33)(H,32,36)/t21-,23+,25+,26-;21-,23+,25-,26+;17-,24+,25+,26-;17-,24-,25-,26+;2*21-,25?,29?/m010111/s1.
What are the key properties of (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide)?
(1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide) has a molecular weight of 3207.94 g/mol, XLogP of 23.60, 32 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide) is sourced from PubChem (CID 167556886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).