tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile

C141H176ClF5N42O22 — CID 162033543

About tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile

tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile (PubChem CID 162033543) has the molecular formula C141H176ClF5N42O22 and a molecular weight of 2941.67 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile.

Molecular Properties

• Compound Name: tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile
• PubChem CID: 162033543
• Molecular Formula: C141H176ClF5N42O22
• Molecular Weight: 2941.67 g/mol
• Exact Mass: 2939.36
• IUPAC Name: tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile
• SMILES: C=CC#N.CC(C)(C)OC(=O)N1CC=C(n2cccc(N)c2=O)CC1.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(C3=CCN(C(=O)OC(C)(C)C)CC3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(C3CCN(C(=O)OC(C)(C)C)CC3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CNc1cc(Nc2cccn(C3CCNCC3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.[C-]#[N+]CCN1CCC(n2cccc(Nc3cc(NC)n4ncc(C(=O)N[C@@H]5C[C@@H]5F)c4n3)c2=O)CC1
• InChI: InChI=1S/C31H41FN8O6.C31H39FN8O6.C24H28FN9O2.C21H25FN8O2.C16H19ClFN5O3.C15H21N3O3.C3H3N/c2*1-30(2,3)45-28(43)37(7)24-16-23(36-25-19(17-33-40(24)25)26(41)35-22-15-20(22)32)34-21-9-8-12-39(27(21)42)18-10-13-38(14-11-18)29(44)46-31(4,5)6;1-26-7-11-32-9-5-15(6-10-32)33-8-3-4-18(24(33)36)29-20-13-21(27-2)34-22(31-20)16(14-28-34)23(35)30-19-12-17(19)25;1-23-18-10-17(26-15-3-2-8-29(21(15)32)12-4-6-24-7-5-12)28-19-13(11-25-30(18)19)20(31)27-16-9-14(16)22;1-16(2,3)26-15(25)22(4)12-6-11(17)21-13-8(7-19-23(12)13)14(24)20-10-5-9(10)18;1-15(2,3)21-14(20)17-9-6-11(7-10-17)18-8-4-5-12(16)13(18)19;1-2-3-4/h8-9,12,16-18,20,22H,10-11,13-15H2,1-7H3,(H,34,36)(H,35,41);8-10,12,16-17,20,22H,11,13-15H2,1-7H3,(H,34,36)(H,35,41);3-4,8,13-15,17,19,27H,5-7,9-12H2,2H3,(H,29,31)(H,30,35);2-3,8,10-12,14,16,23-24H,4-7,9H2,1H3,(H,26,28)(H,27,31);6-7,9-10H,5H2,1-4H3,(H,20,24);4-6,8H,7,9-10,16H2,1-3H3;2H,1H2/t2*20-,22+;17-,19+;14-,16+;9-,10+;;/m00000../s1
• InChIKey: YWIRJSWDFLJXKP-MEQBYHJOSA-N
• XLogP: 17.46
• TPSA: 725.31 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 52
• Rotatable Bonds: 30
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2941.67
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile?

The IUPAC name of tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile (CID 162033543) is tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile.

What is the SMILES notation for tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile?

The canonical SMILES for tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile is C=CC#N.CC(C)(C)OC(=O)N1CC=C(n2cccc(N)c2=O)CC1.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(C3=CCN(C(=O)OC(C)(C)C)CC3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(C3CCN(C(=O)OC(C)(C)C)CC3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CNc1cc(Nc2cccn(C3CCNCC3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.[C-]#[N+]CCN1CCC(n2cccc(Nc3cc(NC)n4ncc(C(=O)N[C@@H]5C[C@@H]5F)c4n3)c2=O)CC1.

What is the InChIKey of tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile?

The InChIKey is YWIRJSWDFLJXKP-MEQBYHJOSA-N. The full InChI is InChI=1S/C31H41FN8O6.C31H39FN8O6.C24H28FN9O2.C21H25FN8O2.C16H19ClFN5O3.C15H21N3O3.C3H3N/c2*1-30(2,3)45-28(43)37(7)24-16-23(36-25-19(17-33-40(24)25)26(41)35-22-15-20(22)32)34-21-9-8-12-39(27(21)42)18-10-13-38(14-11-18)29(44)46-31(4,5)6;1-26-7-11-32-9-5-15(6-10-32)33-8-3-4-18(24(33)36)29-20-13-21(27-2)34-22(31-20)16(14-28-34)23(35)30-19-12-17(19)25;1-23-18-10-17(26-15-3-2-8-29(21(15)32)12-4-6-24-7-5-12)28-19-13(11-25-30(18)19)20(31)27-16-9-14(16)22;1-16(2,3)26-15(25)22(4)12-6-11(17)21-13-8(7-19-23(12)13)14(24)20-10-5-9(10)18;1-15(2,3)21-14(20)17-9-6-11(7-10-17)18-8-4-5-12(16)13(18)19;1-2-3-4/h8-9,12,16-18,20,22H,10-11,13-15H2,1-7H3,(H,34,36)(H,35,41);8-10,12,16-17,20,22H,11,13-15H2,1-7H3,(H,34,36)(H,35,41);3-4,8,13-15,17,19,27H,5-7,9-12H2,2H3,(H,29,31)(H,30,35);2-3,8,10-12,14,16,23-24H,4-7,9H2,1H3,(H,26,28)(H,27,31);6-7,9-10H,5H2,1-4H3,(H,20,24);4-6,8H,7,9-10,16H2,1-3H3;2H,1H2/t2*20-,22+;17-,19+;14-,16+;9-,10+;;/m00000../s1.

What are the key properties of tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile?

tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile has a molecular weight of 2941.67 g/mol, XLogP of 17.46, 30 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(3-amino-2-oxo-1-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[5-chloro-3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-oxo-1-pyridinyl]piperidine-1-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[1-(2-isocyanoethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;prop-2-enenitrile is sourced from PubChem (CID 162033543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).