N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C119H159BBr2ClN31O15 — CID 167625898

About N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 167625898) has the molecular formula C119H159BBr2ClN31O15 and a molecular weight of 2469.86 g/mol. Its IUPAC name is N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 167625898
• Molecular Formula: C119H159BBr2ClN31O15
• Molecular Weight: 2469.86 g/mol
• Exact Mass: 2466.08
• IUPAC Name: N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC(C)(C)OC(=O)NCCCN.CC(C)(C)OC(=O)NCCCNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(C)OC(=O)NCCCNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(C)(C)OC(=O)NCCCNc1cc(N)nc2cc(Br)ccc12.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Cn1cccc1C(=O)O.Cn1ccnc1C(=O)NCCCNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.Nc1cc(Cl)c2ccc(Br)cc2n1
• InChI: InChI=1S/C25H34N6O3.C20H22N8O.C20H26N6O2.C17H23BrN4O2.C14H23BN2O3.C9H6BrClN2.C8H18N2O2.C6H7NO2/c1-25(2,3)34-24(32)28-12-6-11-27-19-16-22(26)30-20-15-17(8-9-18(19)20)21-10-13-29-31(21)23-7-4-5-14-33-23;1-28-10-9-23-19(28)20(29)24-7-2-6-22-16-12-18(21)26-17-11-13(3-4-14(16)17)15-5-8-25-27-15;1-20(2,3)28-19(27)23-9-4-8-22-16-12-18(21)25-17-11-13(5-6-14(16)17)15-7-10-24-26-15;1-17(2,3)24-16(23)21-8-4-7-20-13-10-15(19)22-14-9-11(18)5-6-12(13)14;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-8(2,3)12-7(11)10-6-4-5-9;1-7-4-2-3-5(7)6(8)9/h8-10,13,15-16,23H,4-7,11-12,14H2,1-3H3,(H,28,32)(H3,26,27,30);3-5,8-12H,2,6-7H2,1H3,(H,24,29)(H,25,27)(H3,21,22,26);5-7,10-12H,4,8-9H2,1-3H3,(H,23,27)(H,24,26)(H3,21,22,25);5-6,9-10H,4,7-8H2,1-3H3,(H,21,23)(H3,19,20,22);8-9,12H,5-7,10H2,1-4H3;1-4H,(H2,12,13);4-6,9H2,1-3H3,(H,10,11);2-4H,1H3,(H,8,9)
• InChIKey: NCCAYXYPIYJYAJ-UHFFFAOYSA-N
• XLogP: 21.02
• TPSA: 641.08 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2469.86
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 167625898) is N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(C)(C)OC(=O)NCCCN.CC(C)(C)OC(=O)NCCCNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.CC(C)(C)OC(=O)NCCCNc1cc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(C)(C)OC(=O)NCCCNc1cc(N)nc2cc(Br)ccc12.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Cn1cccc1C(=O)O.Cn1ccnc1C(=O)NCCCNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.Nc1cc(Cl)c2ccc(Br)cc2n1.

What is the InChIKey of N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is NCCAYXYPIYJYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3.C20H22N8O.C20H26N6O2.C17H23BrN4O2.C14H23BN2O3.C9H6BrClN2.C8H18N2O2.C6H7NO2/c1-25(2,3)34-24(32)28-12-6-11-27-19-16-22(26)30-20-15-17(8-9-18(19)20)21-10-13-29-31(21)23-7-4-5-14-33-23;1-28-10-9-23-19(28)20(29)24-7-2-6-22-16-12-18(21)26-17-11-13(3-4-14(16)17)15-5-8-25-27-15;1-20(2,3)28-19(27)23-9-4-8-22-16-12-18(21)25-17-11-13(5-6-14(16)17)15-7-10-24-26-15;1-17(2,3)24-16(23)21-8-4-7-20-13-10-15(19)22-14-9-11(18)5-6-12(13)14;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-8(2,3)12-7(11)10-6-4-5-9;1-7-4-2-3-5(7)6(8)9/h8-10,13,15-16,23H,4-7,11-12,14H2,1-3H3,(H,28,32)(H3,26,27,30);3-5,8-12H,2,6-7H2,1H3,(H,24,29)(H,25,27)(H3,21,22,26);5-7,10-12H,4,8-9H2,1-3H3,(H,23,27)(H,24,26)(H3,21,22,25);5-6,9-10H,4,7-8H2,1-3H3,(H,21,23)(H3,19,20,22);8-9,12H,5-7,10H2,1-4H3;1-4H,(H2,12,13);4-6,9H2,1-3H3,(H,10,11);2-4H,1H3,(H,8,9).

What are the key properties of N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2469.86 g/mol, XLogP of 21.02, 31 rotatable bonds, 18 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]-1-methylimidazole-2-carboxamide;7-bromo-4-chloroquinolin-2-amine;tert-butyl N-[3-[(2-amino-7-bromoquinolin-4-yl)amino]propyl]carbamate;tert-butyl N-[3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propyl]carbamate;1-methylpyrrole-2-carboxylic acid;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 167625898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).