N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole

C105H119BBrF2N29O9 — CID 159557925

About N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole

N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole (PubChem CID 159557925) has the molecular formula C105H119BBrF2N29O9 and a molecular weight of 2060.01 g/mol. Its IUPAC name is N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole.

Molecular Properties

• Compound Name: N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
• PubChem CID: 159557925
• Molecular Formula: C105H119BBrF2N29O9
• Molecular Weight: 2060.01 g/mol
• Exact Mass: 2057.90
• IUPAC Name: N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
• SMILES: CC(C)(C)OC(=O)NCCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1C1CCC1.CC(C)(C)OC(=O)NCCc1nc2c(N)nc3cc(Br)ccc3c2n1C1CCC1.CC1(C)OB(C2=CC=NC2)OC1(C)C.NCCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1C1CCC1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2c1nc(CCNC(=O)c1ccc(F)cn1)n2C1CCC1.O=C(O)c1ccc(F)cn1
• InChI: InChI=1S/C25H23FN8O.C24H29N7O2.C21H26BrN5O2.C19H21N7.C10H16BNO2.C6H4FNO2/c26-15-5-7-19(29-13-15)25(35)28-10-9-21-32-22-23(34(21)16-2-1-3-16)17-6-4-14(18-8-11-30-33-18)12-20(17)31-24(22)27;1-24(2,3)33-23(32)26-11-10-19-29-20-21(31(19)15-5-4-6-15)16-8-7-14(17-9-12-27-30-17)13-18(16)28-22(20)25;1-21(2,3)29-20(28)24-10-9-16-26-17-18(27(16)13-5-4-6-13)14-8-7-12(22)11-15(14)25-19(17)23;20-8-6-16-24-17-18(26(16)12-2-1-3-12)13-5-4-11(14-7-9-22-25-14)10-15(13)23-19(17)21;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;7-4-1-2-5(6(9)10)8-3-4/h4-8,11-13,16H,1-3,9-10H2,(H2,27,31)(H,28,35)(H,30,33);7-9,12-13,15H,4-6,10-11H2,1-3H3,(H2,25,28)(H,26,32)(H,27,30);7-8,11,13H,4-6,9-10H2,1-3H3,(H2,23,25)(H,24,28);4-5,7,9-10,12H,1-3,6,8,20H2,(H2,21,23)(H,22,25);5-6H,7H2,1-4H3;1-3H,(H,9,10)
• InChIKey: MGFPYRTWFNDIBC-UHFFFAOYSA-N
• XLogP: 18.19
• TPSA: 538.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2060.01
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?

The IUPAC name of N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole (CID 159557925) is N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole.

What is the SMILES notation for N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?

The canonical SMILES for N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole is CC(C)(C)OC(=O)NCCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1C1CCC1.CC(C)(C)OC(=O)NCCc1nc2c(N)nc3cc(Br)ccc3c2n1C1CCC1.CC1(C)OB(C2=CC=NC2)OC1(C)C.NCCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1C1CCC1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2c1nc(CCNC(=O)c1ccc(F)cn1)n2C1CCC1.O=C(O)c1ccc(F)cn1.

What is the InChIKey of N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?

The InChIKey is MGFPYRTWFNDIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O.C24H29N7O2.C21H26BrN5O2.C19H21N7.C10H16BNO2.C6H4FNO2/c26-15-5-7-19(29-13-15)25(35)28-10-9-21-32-22-23(34(21)16-2-1-3-16)17-6-4-14(18-8-11-30-33-18)12-20(17)31-24(22)27;1-24(2,3)33-23(32)26-11-10-19-29-20-21(31(19)15-5-4-6-15)16-8-7-14(17-9-12-27-30-17)13-18(16)28-22(20)25;1-21(2,3)29-20(28)24-10-9-16-26-17-18(27(16)13-5-4-6-13)14-8-7-12(22)11-15(14)25-19(17)23;20-8-6-16-24-17-18(26(16)12-2-1-3-12)13-5-4-11(14-7-9-22-25-14)10-15(13)23-19(17)21;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;7-4-1-2-5(6(9)10)8-3-4/h4-8,11-13,16H,1-3,9-10H2,(H2,27,31)(H,28,35)(H,30,33);7-9,12-13,15H,4-6,10-11H2,1-3H3,(H2,25,28)(H,26,32)(H,27,30);7-8,11,13H,4-6,9-10H2,1-3H3,(H2,23,25)(H,24,28);4-5,7,9-10,12H,1-3,6,8,20H2,(H2,21,23)(H,22,25);5-6H,7H2,1-4H3;1-3H,(H,9,10).

What are the key properties of N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?

N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole has a molecular weight of 2060.01 g/mol, XLogP of 18.19, 21 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;2-(2-aminoethyl)-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-1-cyclobutyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]ethyl]carbamate;5-fluoropyridine-2-carboxylic acid;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole is sourced from PubChem (CID 159557925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).