2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole

C90H103Br3F2N26O8 — CID 162012448

About 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole

2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole (PubChem CID 162012448) has the molecular formula C90H103Br3F2N26O8 and a molecular weight of 1954.70 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole
• PubChem CID: 162012448
• Molecular Formula: C90H103Br3F2N26O8
• Molecular Weight: 1954.70 g/mol
• Exact Mass: 1950.60
• IUPAC Name: 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole
• SMILES: C.CC.CC(C)(C)OC(=O)CCCBr.CC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)ccc12.Cc1ccnn1C1CCCCO1.NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3ccc(F)cn3)nc12.Nc1nc2cc(Br)ccc2c2cn[nH]c12.O=C(O)c1ccc(F)cc1
• InChI: InChI=1S/C21H17FN8O.C17H20BrN5O2.C15H15N7.C10H7BrN4.C9H14N2O.C8H15BrO2.C7H5FO2.C2H6.CH4/c22-13-2-4-17(25-10-13)21(31)24-7-8-30-11-15-14-3-1-12(16-5-6-26-28-16)9-18(14)27-20(23)19(15)29-30;1-17(2,3)25-16(24)20-6-7-23-9-12-11-5-4-10(18)8-13(11)21-15(19)14(12)22-23;16-4-6-22-8-11-10-2-1-9(12-3-5-18-20-12)7-13(10)19-15(17)14(11)21-22;11-5-1-2-6-7-4-13-15-9(7)10(12)14-8(6)3-5;1-8-5-6-10-11(8)9-4-2-3-7-12-9;1-8(2,3)11-7(10)5-4-6-9;8-6-3-1-5(2-4-6)7(9)10;1-2;/h1-6,9-11H,7-8H2,(H2,23,27)(H,24,31)(H,26,28);4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24);1-3,5,7-8H,4,6,16H2,(H2,17,19)(H,18,20);1-4H,(H2,12,14)(H,13,15);5-6,9H,2-4,7H2,1H3;4-6H2,1-3H3;1-4H,(H,9,10);1-2H3;1H4
• InChIKey: YTQQPAXTBUHRJM-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 492.13 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1954.70
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole?

The IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole (CID 162012448) is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole.

What is the SMILES notation for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole?

The canonical SMILES for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole is C.CC.CC(C)(C)OC(=O)CCCBr.CC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)ccc12.Cc1ccnn1C1CCCCO1.NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3ccc(F)cn3)nc12.Nc1nc2cc(Br)ccc2c2cn[nH]c12.O=C(O)c1ccc(F)cc1.

What is the InChIKey of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole?

The InChIKey is YTQQPAXTBUHRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN8O.C17H20BrN5O2.C15H15N7.C10H7BrN4.C9H14N2O.C8H15BrO2.C7H5FO2.C2H6.CH4/c22-13-2-4-17(25-10-13)21(31)24-7-8-30-11-15-14-3-1-12(16-5-6-26-28-16)9-18(14)27-20(23)19(15)29-30;1-17(2,3)25-16(24)20-6-7-23-9-12-11-5-4-10(18)8-13(11)21-15(19)14(12)22-23;16-4-6-22-8-11-10-2-1-9(12-3-5-18-20-12)7-13(10)19-15(17)14(11)21-22;11-5-1-2-6-7-4-13-15-9(7)10(12)14-8(6)3-5;1-8-5-6-10-11(8)9-4-2-3-7-12-9;1-8(2,3)11-7(10)5-4-6-9;8-6-3-1-5(2-4-6)7(9)10;1-2;/h1-6,9-11H,7-8H2,(H2,23,27)(H,24,31)(H,26,28);4-5,8-9H,6-7H2,1-3H3,(H2,19,21)(H,20,24);1-3,5,7-8H,4,6,16H2,(H2,17,19)(H,18,20);1-4H,(H2,12,14)(H,13,15);5-6,9H,2-4,7H2,1H3;4-6H2,1-3H3;1-4H,(H,9,10);1-2H3;1H4.

What are the key properties of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole?

2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole has a molecular weight of 1954.70 g/mol, XLogP of 17.53, 16 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 162012448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).