tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one

C115H151N39O19 — CID 157322942

About tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one

tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one (PubChem CID 157322942) has the molecular formula C115H151N39O19 and a molecular weight of 2383.73 g/mol. Its IUPAC name is tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one.

Molecular Properties

• Compound Name: tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one
• PubChem CID: 157322942
• Molecular Formula: C115H151N39O19
• Molecular Weight: 2383.73 g/mol
• Exact Mass: 2382.20
• IUPAC Name: tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one
• SMILES: CC(C)(C)OC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(CN2CCOCC2)cc1N.CC(C)(C)OC(=O)Nc1cn[nH]c1C(=O)O.C[C@H](O)C(=O)O.NC1CC1.Nc1ccc(CN2CCOCC2)cc1N.Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1.O=c1[nH]c2cn[nH]c2c2nc3ccc(CN4CCOCC4)cc3n12
• InChI: InChI=1S/C20H28N6O4.2C19H23N7O2.C16H16N6O2.C15H18N6O.C11H17N3O.C9H13N3O4.C3H7N.C3H6O3/c1-20(2,3)30-19(28)24-16-11-22-25-17(16)18(27)23-15-5-4-13(10-14(15)21)12-26-6-8-29-9-7-26;2*27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26;23-16-19-12-8-17-20-14(12)15-18-11-2-1-10(7-13(11)22(15)16)9-21-3-5-24-6-4-21;16-11-8-17-20-14(11)15-18-12-2-1-10(7-13(12)19-15)9-21-3-5-22-6-4-21;12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14;1-9(2,3)16-8(15)11-5-4-10-12-6(5)7(13)14;4-3-1-2-3;1-2(4)3(5)6/h4-5,10-11H,6-9,12,21H2,1-3H3,(H,22,25)(H,23,27)(H,24,28);2*1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27);1-2,7-8H,3-6,9H2,(H,17,20)(H,19,23);1-2,7-8H,3-6,9,16H2,(H,17,20)(H,18,19);1-2,7H,3-6,8,12-13H2;4H,1-3H3,(H,10,12)(H,11,15)(H,13,14);3H,1-2,4H2;2,4H,1H3,(H,5,6)/t;;;;;;;;2-/m........0/s1
• InChIKey: BEJORFMSDSQARZ-JSLNOLHOSA-N
• XLogP: 10.51
• TPSA: 796.05 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2383.73
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one?

The IUPAC name of tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one (CID 157322942) is tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one.

What is the SMILES notation for tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one?

The canonical SMILES for tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one is CC(C)(C)OC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(CN2CCOCC2)cc1N.CC(C)(C)OC(=O)Nc1cn[nH]c1C(=O)O.C[C@H](O)C(=O)O.NC1CC1.Nc1ccc(CN2CCOCC2)cc1N.Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1.O=c1[nH]c2cn[nH]c2c2nc3ccc(CN4CCOCC4)cc3n12.

What is the InChIKey of tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one?

The InChIKey is BEJORFMSDSQARZ-JSLNOLHOSA-N. The full InChI is InChI=1S/C20H28N6O4.2C19H23N7O2.C16H16N6O2.C15H18N6O.C11H17N3O.C9H13N3O4.C3H7N.C3H6O3/c1-20(2,3)30-19(28)24-16-11-22-25-17(16)18(27)23-15-5-4-13(10-14(15)21)12-26-6-8-29-9-7-26;2*27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26;23-16-19-12-8-17-20-14(12)15-18-11-2-1-10(7-13(11)22(15)16)9-21-3-5-24-6-4-21;16-11-8-17-20-14(11)15-18-12-2-1-10(7-13(12)19-15)9-21-3-5-22-6-4-21;12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14;1-9(2,3)16-8(15)11-5-4-10-12-6(5)7(13)14;4-3-1-2-3;1-2(4)3(5)6/h4-5,10-11H,6-9,12,21H2,1-3H3,(H,22,25)(H,23,27)(H,24,28);2*1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27);1-2,7-8H,3-6,9H2,(H,17,20)(H,19,23);1-2,7-8H,3-6,9,16H2,(H,17,20)(H,18,19);1-2,7H,3-6,8,12-13H2;4H,1-3H3,(H,10,12)(H,11,15)(H,13,14);3H,1-2,4H2;2,4H,1H3,(H,5,6)/t;;;;;;;;2-/m........0/s1.

What are the key properties of tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one?

tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one has a molecular weight of 2383.73 g/mol, XLogP of 10.51, 25 rotatable bonds, 25 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;bis(1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea);(2S)-2-hydroxypropanoic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;12-(morpholin-4-ylmethyl)-3,4,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),4,10(15),11,13-hexaen-8-one is sourced from PubChem (CID 157322942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).