tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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

C104H137N33O18 — CID 158674382

About tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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 158674382) has the molecular formula C104H137N33O18 and a molecular weight of 2137.45 g/mol. Its IUPAC name is tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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: 158674382
• Molecular Formula: C104H137N33O18
• Molecular Weight: 2137.45 g/mol
• Exact Mass: 2136.08
• IUPAC Name: tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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.CC(C)(C)OC(=O)Nc1cn[nH]c1C(=O)O.NC1CC1.Nc1ccc(CN2CCOCC2)cc1N.Nc1cn[nH]c1C1=Nc2ccc(CN3CCOCC3)cc2C1.O=C(Nc1cn[nH]c1C1=Nc2ccc(CN3CCOCC3)cc2C1)NC1CC1.O=c1[nH]c2cn[nH]c2c2nc3ccc(CN4CCOCC4)cc3n12
• InChI: InChI=1S/C20H28N6O4.C20H24N6O2.C16H16N6O2.C16H19N5O.C11H17N3O.2C9H13N3O4.C3H7N/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;27-20(22-15-2-3-15)24-18-11-21-25-19(18)17-10-14-9-13(1-4-16(14)23-17)12-26-5-7-28-8-6-26;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;17-13-9-18-20-16(13)15-8-12-7-11(1-2-14(12)19-15)10-21-3-5-22-6-4-21;12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14;2*1-9(2,3)16-8(15)11-5-4-10-12-6(5)7(13)14;4-3-1-2-3/h4-5,10-11H,6-9,12,21H2,1-3H3,(H,22,25)(H,23,27)(H,24,28);1,4,9,11,15H,2-3,5-8,10,12H2,(H,21,25)(H2,22,24,27);1-2,7-8H,3-6,9H2,(H,17,20)(H,19,23);1-2,7,9H,3-6,8,10,17H2,(H,18,20);1-2,7H,3-6,8,12-13H2;2*4H,1-3H3,(H,10,12)(H,11,15)(H,13,14);3H,1-2,4H2
• InChIKey: IEIIUHBLDWIGJU-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 699.23 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.45
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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 158674382) is tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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.CC(C)(C)OC(=O)Nc1cn[nH]c1C(=O)O.NC1CC1.Nc1ccc(CN2CCOCC2)cc1N.Nc1cn[nH]c1C1=Nc2ccc(CN3CCOCC3)cc2C1.O=C(Nc1cn[nH]c1C1=Nc2ccc(CN3CCOCC3)cc2C1)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;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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 IEIIUHBLDWIGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O4.C20H24N6O2.C16H16N6O2.C16H19N5O.C11H17N3O.2C9H13N3O4.C3H7N/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;27-20(22-15-2-3-15)24-18-11-21-25-19(18)17-10-14-9-13(1-4-16(14)23-17)12-26-5-7-28-8-6-26;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;17-13-9-18-20-16(13)15-8-12-7-11(1-2-14(12)19-15)10-21-3-5-22-6-4-21;12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14;2*1-9(2,3)16-8(15)11-5-4-10-12-6(5)7(13)14;4-3-1-2-3/h4-5,10-11H,6-9,12,21H2,1-3H3,(H,22,25)(H,23,27)(H,24,28);1,4,9,11,15H,2-3,5-8,10,12H2,(H,21,25)(H2,22,24,27);1-2,7-8H,3-6,9H2,(H,17,20)(H,19,23);1-2,7,9H,3-6,8,10,17H2,(H,18,20);1-2,7H,3-6,8,12-13H2;2*4H,1-3H3,(H,10,12)(H,11,15)(H,13,14);3H,1-2,4H2.

What are the key properties of tert-butyl N-[5-[[2-amino-4-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrazol-4-yl]carbamate;cyclopropanamine;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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 2137.45 g/mol, XLogP of 10.71, 21 rotatable bonds, 20 hydrogen bond donors, and 36 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;1-cyclopropyl-3-[5-[5-(morpholin-4-ylmethyl)-3H-indol-2-yl]-1H-pyrazol-4-yl]urea;bis(4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid);4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[5-(morpholin-4-ylmethyl)-3H-indol-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 158674382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).