2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole

C91H103Br3N26O8 — CID 158845992

IUPAC2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole
SMILESCC(C)(C)OC(=O)NCCCBr.CC(C)(C)OC(=O)NCCCn1cc2c(n1)c(N)nc1cc(Br)ccc12.Cc1ccnn1C1CCCCO1.NCCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCCNC(=O)c3ccccc3)nc12.Nc1nc2cc(Br)ccc2c2cn[nH]c12.O=C(O)c1ccccc1
InChIInChI=1S/C23H21N7O.C18H22BrN5O2.C16H17N7.C10H7BrN4.C9H14N2O.C8H16BrNO2.C7H6O2/c24-22-21-18(17-8-7-16(13-20(17)27-22)19-9-11-26-28-19)14-30(29-21)12-4-10-25-23(31)15-5-2-1-3-6-15;1-18(2,3)26-17(25)21-7-4-8-24-10-13-12-6-5-11(19)9-14(12)22-16(20)15(13)23-24;17-5-1-7-23-9-12-11-3-2-10(13-4-6-19-21-13)8-14(11)20-16(18)15(12)22-23;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)12-7(11)10-6-4-5-9;8-7(9)6-4-2-1-3-5-6/h1-3,5-9,11,13-14H,4,10,12H2,(H2,24,27)(H,25,31)(H,26,28);5-6,9-10H,4,7-8H2,1-3H3,(H2,20,22)(H,21,25);2-4,6,8-9H,1,5,7,17H2,(H2,18,20)(H,19,21);1-4H,(H2,12,14)(H,13,15);5-6,9H,2-4,7H2,1H3;4-6H2,1-3H3,(H,10,11);1-5H,(H,8,9)
InChIKeyIYVKWWRCWSUCLQ-UHFFFAOYSA-N
MW1928.71 g/mol
LogP17.15
Rot. Bonds19

About 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole

2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole (PubChem CID 158845992) has the molecular formula C91H103Br3N26O8 and a molecular weight of 1928.71 g/mol. Its IUPAC name is 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole
PubChem CID158845992
Molecular FormulaC91H103Br3N26O8
Molecular Weight1928.71 g/mol
Exact Mass1924.60
IUPAC Name2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole
SMILESCC(C)(C)OC(=O)NCCCBr.CC(C)(C)OC(=O)NCCCn1cc2c(n1)c(N)nc1cc(Br)ccc12.Cc1ccnn1C1CCCCO1.NCCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCCNC(=O)c3ccccc3)nc12.Nc1nc2cc(Br)ccc2c2cn[nH]c12.O=C(O)c1ccccc1
InChIInChI=1S/C23H21N7O.C18H22BrN5O2.C16H17N7.C10H7BrN4.C9H14N2O.C8H16BrNO2.C7H6O2/c24-22-21-18(17-8-7-16(13-20(17)27-22)19-9-11-26-28-19)14-30(29-21)12-4-10-25-23(31)15-5-2-1-3-6-15;1-18(2,3)26-17(25)21-7-4-8-24-10-13-12-6-5-11(19)9-14(12)22-16(20)15(13)23-24;17-5-1-7-23-9-12-11-3-2-10(13-4-6-19-21-13)8-14(11)20-16(18)15(12)22-23;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)12-7(11)10-6-4-5-9;8-7(9)6-4-2-1-3-5-6/h1-3,5-9,11,13-14H,4,10,12H2,(H2,24,27)(H,25,31)(H,26,28);5-6,9-10H,4,7-8H2,1-3H3,(H2,20,22)(H,21,25);2-4,6,8-9H,1,5,7,17H2,(H2,18,20)(H,19,21);1-4H,(H2,12,14)(H,13,15);5-6,9H,2-4,7H2,1H3;4-6H2,1-3H3,(H,10,11);1-5H,(H,8,9)
InChIKeyIYVKWWRCWSUCLQ-UHFFFAOYSA-N
XLogP17.15
TPSA491.27 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms128
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001928.71
LogP ≤ 517.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole?
The IUPAC name of 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole (CID 158845992) is 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole is CC(C)(C)OC(=O)NCCCBr.CC(C)(C)OC(=O)NCCCn1cc2c(n1)c(N)nc1cc(Br)ccc12.Cc1ccnn1C1CCCCO1.NCCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCCNC(=O)c3ccccc3)nc12.Nc1nc2cc(Br)ccc2c2cn[nH]c12.O=C(O)c1ccccc1.
What is the InChIKey of 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole?
The InChIKey is IYVKWWRCWSUCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O.C18H22BrN5O2.C16H17N7.C10H7BrN4.C9H14N2O.C8H16BrNO2.C7H6O2/c24-22-21-18(17-8-7-16(13-20(17)27-22)19-9-11-26-28-19)14-30(29-21)12-4-10-25-23(31)15-5-2-1-3-6-15;1-18(2,3)26-17(25)21-7-4-8-24-10-13-12-6-5-11(19)9-14(12)22-16(20)15(13)23-24;17-5-1-7-23-9-12-11-3-2-10(13-4-6-19-21-13)8-14(11)20-16(18)15(12)22-23;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)12-7(11)10-6-4-5-9;8-7(9)6-4-2-1-3-5-6/h1-3,5-9,11,13-14H,4,10,12H2,(H2,24,27)(H,25,31)(H,26,28);5-6,9-10H,4,7-8H2,1-3H3,(H2,20,22)(H,21,25);2-4,6,8-9H,1,5,7,17H2,(H2,18,20)(H,19,21);1-4H,(H2,12,14)(H,13,15);5-6,9H,2-4,7H2,1H3;4-6H2,1-3H3,(H,10,11);1-5H,(H,8,9).
What are the key properties of 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole?
2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole has a molecular weight of 1928.71 g/mol, XLogP of 17.15, 19 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 158845992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).