N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

C191H257F7N50O5 — CID 167630292

About N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 167630292) has the molecular formula C191H257F7N50O5 and a molecular weight of 3466.49 g/mol. Its IUPAC name is N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
• PubChem CID: 167630292
• Molecular Formula: C191H257F7N50O5
• Molecular Weight: 3466.49 g/mol
• Exact Mass: 3464.13
• IUPAC Name: N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
• SMILES: CCCN(C)[C@H]1CCCN(c2ccc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)cc2F)C1.CCOCCN(C)[C@H]1CCCN(c2ccc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)cc2F)C1.Cc1cnc(Cc2ccc(N3CCC4(CC3)CN(CCO)C4)c(F)c2)nc1-c1cnn(C(C)C)c1.Cc1cnc(Cc2ccc(N3CCC4(CC3)CNC4)c(F)c2)nc1-c1cnn(C(C)C)c1.Cc1cnc(Nc2ccc(N3CCC(CN(C)CCN4CCOCC4)CC3)c(F)c2)nc1-c1cnn(C(C)C)c1.Cc1cnc(Nc2ccc(N3CCC[C@H](N(C)CCN4CCOCC4)C3)c(F)c2)nc1-c1cnn(C(C)C)c1.[C-]#[N+]CCC(=O)N(C)[C@H]1CCCN(c2ccc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)cc2F)C1
• InChI: InChI=1S/C30H43FN8O.C29H41FN8O.C27H33FN8O.C27H38FN7O.C27H35FN6O.C26H36FN7.C25H31FN6/c1-22(2)39-21-25(19-33-39)29-23(3)18-32-30(35-29)34-26-5-6-28(27(31)17-26)38-9-7-24(8-10-38)20-36(4)11-12-37-13-15-40-16-14-37;1-21(2)38-19-23(18-32-38)28-22(3)17-31-29(34-28)33-24-7-8-27(26(30)16-24)37-9-5-6-25(20-37)35(4)10-11-36-12-14-39-15-13-36;1-18(2)36-16-20(15-31-36)26-19(3)14-30-27(33-26)32-21-8-9-24(23(28)13-21)35-12-6-7-22(17-35)34(5)25(37)10-11-29-4;1-6-36-13-12-33(5)23-8-7-11-34(18-23)25-10-9-22(14-24(25)28)31-27-29-15-20(4)26(32-27)21-16-30-35(17-21)19(2)3;1-19(2)34-16-22(15-30-34)26-20(3)14-29-25(31-26)13-21-4-5-24(23(28)12-21)33-8-6-27(7-9-33)17-32(18-27)10-11-35;1-6-11-32(5)22-8-7-12-33(17-22)24-10-9-21(13-23(24)27)30-26-28-14-19(4)25(31-26)20-15-29-34(16-20)18(2)3;1-17(2)32-14-20(13-29-32)24-18(3)12-28-23(30-24)11-19-4-5-22(21(26)10-19)31-8-6-25(7-9-31)15-27-16-25/h5-6,17-19,21-22,24H,7-16,20H2,1-4H3,(H,32,34,35);7-8,16-19,21,25H,5-6,9-15,20H2,1-4H3,(H,31,33,34);8-9,13-16,18,22H,6-7,10-12,17H2,1-3,5H3,(H,30,32,33);9-10,14-17,19,23H,6-8,11-13,18H2,1-5H3,(H,29,31,32);4-5,12,14-16,19,35H,6-11,13,17-18H2,1-3H3;9-10,13-16,18,22H,6-8,11-12,17H2,1-5H3,(H,28,30,31);4-5,10,12-14,17,27H,6-9,11,15-16H2,1-3H3/t;25-;22-;23-;;22-;/m.000.0./s1
• InChIKey: NRPVSCJFTMWKNF-HCJZEKLPSA-N
• XLogP: 32.26
• TPSA: 495.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 53
• Rotatable Bonds: 57
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3466.49
LogP ≤ 5	32.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?

The IUPAC name of N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (CID 167630292) is N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?

The canonical SMILES for N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is CCCN(C)[C@H]1CCCN(c2ccc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)cc2F)C1.CCOCCN(C)[C@H]1CCCN(c2ccc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)cc2F)C1.Cc1cnc(Cc2ccc(N3CCC4(CC3)CN(CCO)C4)c(F)c2)nc1-c1cnn(C(C)C)c1.Cc1cnc(Cc2ccc(N3CCC4(CC3)CNC4)c(F)c2)nc1-c1cnn(C(C)C)c1.Cc1cnc(Nc2ccc(N3CCC(CN(C)CCN4CCOCC4)CC3)c(F)c2)nc1-c1cnn(C(C)C)c1.Cc1cnc(Nc2ccc(N3CCC[C@H](N(C)CCN4CCOCC4)C3)c(F)c2)nc1-c1cnn(C(C)C)c1.[C-]#[N+]CCC(=O)N(C)[C@H]1CCCN(c2ccc(Nc3ncc(C)c(-c4cnn(C(C)C)c4)n3)cc2F)C1.

What is the InChIKey of N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?

The InChIKey is NRPVSCJFTMWKNF-HCJZEKLPSA-N. The full InChI is InChI=1S/C30H43FN8O.C29H41FN8O.C27H33FN8O.C27H38FN7O.C27H35FN6O.C26H36FN7.C25H31FN6/c1-22(2)39-21-25(19-33-39)29-23(3)18-32-30(35-29)34-26-5-6-28(27(31)17-26)38-9-7-24(8-10-38)20-36(4)11-12-37-13-15-40-16-14-37;1-21(2)38-19-23(18-32-38)28-22(3)17-31-29(34-28)33-24-7-8-27(26(30)16-24)37-9-5-6-25(20-37)35(4)10-11-36-12-14-39-15-13-36;1-18(2)36-16-20(15-31-36)26-19(3)14-30-27(33-26)32-21-8-9-24(23(28)13-21)35-12-6-7-22(17-35)34(5)25(37)10-11-29-4;1-6-36-13-12-33(5)23-8-7-11-34(18-23)25-10-9-22(14-24(25)28)31-27-29-15-20(4)26(32-27)21-16-30-35(17-21)19(2)3;1-19(2)34-16-22(15-30-34)26-20(3)14-29-25(31-26)13-21-4-5-24(23(28)12-21)33-8-6-27(7-9-33)17-32(18-27)10-11-35;1-6-11-32(5)22-8-7-12-33(17-22)24-10-9-21(13-23(24)27)30-26-28-14-19(4)25(31-26)20-15-29-34(16-20)18(2)3;1-17(2)32-14-20(13-29-32)24-18(3)12-28-23(30-24)11-19-4-5-22(21(26)10-19)31-8-6-25(7-9-31)15-27-16-25/h5-6,17-19,21-22,24H,7-16,20H2,1-4H3,(H,32,34,35);7-8,16-19,21,25H,5-6,9-15,20H2,1-4H3,(H,31,33,34);8-9,13-16,18,22H,6-7,10-12,17H2,1-3,5H3,(H,30,32,33);9-10,14-17,19,23H,6-8,11-13,18H2,1-5H3,(H,29,31,32);4-5,12,14-16,19,35H,6-11,13,17-18H2,1-3H3;9-10,13-16,18,22H,6-8,11-12,17H2,1-5H3,(H,28,30,31);4-5,10,12-14,17,27H,6-9,11,15-16H2,1-3H3/t;25-;22-;23-;;22-;/m.000.0./s1.

What are the key properties of N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?

N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 3466.49 g/mol, XLogP of 32.26, 57 rotatable bonds, 7 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3S)-3-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[3-fluoro-4-[(3S)-3-[methyl(2-morpholin-4-ylethyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine;N-[(3S)-1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-3-yl]-3-isocyano-N-methylpropanamide;7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonane;2-[7-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]methyl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanol;N-[3-fluoro-4-[(3S)-3-[methyl(propyl)amino]piperidin-1-yl]phenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 167630292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).