(2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one

C81H105F18N23O11 — CID 159065586

IUPAC(2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one
SMILESCC(C)(Nc1ccnc(-c2ccc(=O)[nH]c2)n1)C(=O)NCC(F)(F)F.CC(C)(Nc1nc(C2=CNC(O)C=C2)ncc1F)C(=O)NCC(F)(F)F.CC(C)[C@@H](Nc1ccnc(-c2ccc(=O)[nH]c2)n1)C(=O)CCC(F)(F)F.CC(C)[C@@H](Nc1nc(C2=CNC(O)C=C2)ncc1F)C(=O)NCC(F)(F)F.O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2ccc3c(c2)OCO3)ncc1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H16F4N4O3.C17H19F3N4O2.C16H19F4N5O2.C15H17F4N5O2.C15H16F3N5O2.9H2/c19-11-7-23-15(10-3-4-13-14(6-10)29-9-28-13)25-16(11)26-5-1-2-12(26)17(27)24-8-18(20,21)22;1-10(2)15(12(25)5-7-17(18,19)20)23-13-6-8-21-16(24-13)11-3-4-14(26)22-9-11;1-8(2)12(15(27)23-7-16(18,19)20)24-14-10(17)6-22-13(25-14)9-3-4-11(26)21-5-9;1-14(2,13(26)22-7-15(17,18)19)24-12-9(16)6-21-11(23-12)8-3-4-10(25)20-5-8;1-14(2,13(25)21-8-15(16,17)18)23-10-5-6-19-12(22-10)9-3-4-11(24)20-7-9;;;;;;;;;/h3-4,6-7,12H,1-2,5,8-9H2,(H,24,27);3-4,6,8-10,15H,5,7H2,1-2H3,(H,22,26)(H,21,23,24);3-6,8,11-12,21,26H,7H2,1-2H3,(H,23,27)(H,22,24,25);3-6,10,20,25H,7H2,1-2H3,(H,22,26)(H,21,23,24);3-7H,8H2,1-2H3,(H,20,24)(H,21,25)(H,19,22,23);9*1H/t12-;15-;11?,12-;;;;;;;;;;;/m111.........../s1
InChIKeyJYZYAKVQIIMWJH-YKYKPNINSA-N
MW1918.84 g/mol
LogP12.61
Rot. Bonds27

About (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one

(2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one (PubChem CID 159065586) has the molecular formula C81H105F18N23O11 and a molecular weight of 1918.84 g/mol. Its IUPAC name is (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name(2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one
PubChem CID159065586
Molecular FormulaC81H105F18N23O11
Molecular Weight1918.84 g/mol
Exact Mass1917.81
IUPAC Name(2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one
SMILESCC(C)(Nc1ccnc(-c2ccc(=O)[nH]c2)n1)C(=O)NCC(F)(F)F.CC(C)(Nc1nc(C2=CNC(O)C=C2)ncc1F)C(=O)NCC(F)(F)F.CC(C)[C@@H](Nc1ccnc(-c2ccc(=O)[nH]c2)n1)C(=O)CCC(F)(F)F.CC(C)[C@@H](Nc1nc(C2=CNC(O)C=C2)ncc1F)C(=O)NCC(F)(F)F.O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2ccc3c(c2)OCO3)ncc1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H16F4N4O3.C17H19F3N4O2.C16H19F4N5O2.C15H17F4N5O2.C15H16F3N5O2.9H2/c19-11-7-23-15(10-3-4-13-14(6-10)29-9-28-13)25-16(11)26-5-1-2-12(26)17(27)24-8-18(20,21)22;1-10(2)15(12(25)5-7-17(18,19)20)23-13-6-8-21-16(24-13)11-3-4-14(26)22-9-11;1-8(2)12(15(27)23-7-16(18,19)20)24-14-10(17)6-22-13(25-14)9-3-4-11(26)21-5-9;1-14(2,13(26)22-7-15(17,18)19)24-12-9(16)6-21-11(23-12)8-3-4-10(25)20-5-8;1-14(2,13(25)21-8-15(16,17)18)23-10-5-6-19-12(22-10)9-3-4-11(24)20-7-9;;;;;;;;;/h3-4,6-7,12H,1-2,5,8-9H2,(H,24,27);3-4,6,8-10,15H,5,7H2,1-2H3,(H,22,26)(H,21,23,24);3-6,8,11-12,21,26H,7H2,1-2H3,(H,23,27)(H,22,24,25);3-6,10,20,25H,7H2,1-2H3,(H,22,26)(H,21,23,24);3-7H,8H2,1-2H3,(H,20,24)(H,21,25)(H,19,22,23);9*1H/t12-;15-;11?,12-;;;;;;;;;;;/m111.........../s1
InChIKeyJYZYAKVQIIMWJH-YKYKPNINSA-N
XLogP12.61
TPSA462.43 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.84
LogP ≤ 512.61
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

(2R)-1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 59374483
(5R)-5-[[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]amino]-1,1,1-trifluoro-6-methylheptan-4-one;2-[[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-[(5-fluoro-2-quinolin-6-ylpyrimidin-4-yl)amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;(5R)-1,1,1-trifluoro-5-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-6-methylheptan-4-one
CID 159406541
(2R)-1-[5-fluoro-2-(4-hydroxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[5-fluoro-2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
CID 160701454
(2R)-1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
CID 161604299
1-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylpiperazine;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;3-[tert-butyl(methyl)amino]propanenitrile;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;1-tert-butyl-4-pyridin-2-ylpiperazine;(1-tert-butylpyrrolidin-2-yl)methanol;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine
CID 158336054
1-(1,3-Benzodioxol-5-ylmethyl)piperazine;1-(4-tert-butyl-1,4-diazepan-1-yl)ethanone;1-tert-butyl-4-(2,4-difluorophenyl)piperazine;1-tert-butyl-4-phenylpiperidin-4-ol;2-(4-tert-butylpiperazin-1-yl)ethanol;3-(4-tert-butylpiperazin-1-yl)propanenitrile;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine-4-carboxamide;2-(1-tert-butylpiperidin-4-yl)ethanol;(1-tert-butylpyrrolidin-2-yl)methanol;3-(methylamino)propanenitrile;tris(2-methylpropane);1-pyridin-4-ylpiperazine
CID 160171847

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one (CID 159065586) is (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one is CC(C)(Nc1ccnc(-c2ccc(=O)[nH]c2)n1)C(=O)NCC(F)(F)F.CC(C)(Nc1nc(C2=CNC(O)C=C2)ncc1F)C(=O)NCC(F)(F)F.CC(C)[C@@H](Nc1ccnc(-c2ccc(=O)[nH]c2)n1)C(=O)CCC(F)(F)F.CC(C)[C@@H](Nc1nc(C2=CNC(O)C=C2)ncc1F)C(=O)NCC(F)(F)F.O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2ccc3c(c2)OCO3)ncc1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one?
The InChIKey is JYZYAKVQIIMWJH-YKYKPNINSA-N. The full InChI is InChI=1S/C18H16F4N4O3.C17H19F3N4O2.C16H19F4N5O2.C15H17F4N5O2.C15H16F3N5O2.9H2/c19-11-7-23-15(10-3-4-13-14(6-10)29-9-28-13)25-16(11)26-5-1-2-12(26)17(27)24-8-18(20,21)22;1-10(2)15(12(25)5-7-17(18,19)20)23-13-6-8-21-16(24-13)11-3-4-14(26)22-9-11;1-8(2)12(15(27)23-7-16(18,19)20)24-14-10(17)6-22-13(25-14)9-3-4-11(26)21-5-9;1-14(2,13(26)22-7-15(17,18)19)24-12-9(16)6-21-11(23-12)8-3-4-10(25)20-5-8;1-14(2,13(25)21-8-15(16,17)18)23-10-5-6-19-12(22-10)9-3-4-11(24)20-7-9;;;;;;;;;/h3-4,6-7,12H,1-2,5,8-9H2,(H,24,27);3-4,6,8-10,15H,5,7H2,1-2H3,(H,22,26)(H,21,23,24);3-6,8,11-12,21,26H,7H2,1-2H3,(H,23,27)(H,22,24,25);3-6,10,20,25H,7H2,1-2H3,(H,22,26)(H,21,23,24);3-7H,8H2,1-2H3,(H,20,24)(H,21,25)(H,19,22,23);9*1H/t12-;15-;11?,12-;;;;;;;;;;;/m111.........../s1.
What are the key properties of (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one?
(2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one has a molecular weight of 1918.84 g/mol, XLogP of 12.61, 27 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1,3-benzodioxol-5-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(2-hydroxy-1,2-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen;5-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 159065586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).