N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane

C114H122N36O7S — CID 158332041

About N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane

N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane (PubChem CID 158332041) has the molecular formula C114H122N36O7S and a molecular weight of 2140.54 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane.

Molecular Properties

• Compound Name: N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane
• PubChem CID: 158332041
• Molecular Formula: C114H122N36O7S
• Molecular Weight: 2140.54 g/mol
• Exact Mass: 2139.00
• IUPAC Name: N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane
• SMILES: C.C.C.C.C.CC(C)(C)c1cccc(C(=O)NCCc2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3[nH]2)n1.Cc1nc(C(=O)NCCc2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3[nH]2)co1.Cc1nc(C(=O)NCCc2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3[nH]2)cs1.Cn1cnc(C(=O)NCCc2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3[nH]2)c1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CCNC(=O)c3cnco3)cc12
• InChI: InChI=1S/C26H27N7O.C21H20N8O.C21H19N7O2.C21H19N7OS.C20H17N7O2.5CH4/c1-26(2,3)22-6-4-5-20(31-22)25(34)28-11-9-16-14-18-23(30-16)17-8-7-15(19-10-12-29-33-19)13-21(17)32-24(18)27;1-29-10-18(24-11-29)21(30)23-6-4-13-9-15-19(26-13)14-3-2-12(16-5-7-25-28-16)8-17(14)27-20(15)22;2*1-11-25-18(10-30-11)21(29)23-6-4-13-9-15-19(26-13)14-3-2-12(16-5-7-24-28-16)8-17(14)27-20(15)22;21-19-14-8-12(3-5-23-20(28)17-9-22-10-29-17)25-18(14)13-2-1-11(7-16(13)26-19)15-4-6-24-27-15;;;;;/h4-8,10,12-14,30H,9,11H2,1-3H3,(H2,27,32)(H,28,34)(H,29,33);2-3,5,7-11,26H,4,6H2,1H3,(H2,22,27)(H,23,30)(H,25,28);2*2-3,5,7-10,26H,4,6H2,1H3,(H2,22,27)(H,23,29)(H,24,28);1-2,4,6-10,25H,3,5H2,(H2,21,26)(H,23,28)(H,24,27);5*1H4
• InChIKey: GQCZCAGNONRZTK-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 658.06 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2140.54
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane?

The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane (CID 158332041) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane.

What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane?

The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane is C.C.C.C.C.CC(C)(C)c1cccc(C(=O)NCCc2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3[nH]2)n1.Cc1nc(C(=O)NCCc2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3[nH]2)co1.Cc1nc(C(=O)NCCc2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3[nH]2)cs1.Cn1cnc(C(=O)NCCc2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3[nH]2)c1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CCNC(=O)c3cnco3)cc12.

What is the InChIKey of N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane?

The InChIKey is GQCZCAGNONRZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O.C21H20N8O.C21H19N7O2.C21H19N7OS.C20H17N7O2.5CH4/c1-26(2,3)22-6-4-5-20(31-22)25(34)28-11-9-16-14-18-23(30-16)17-8-7-15(19-10-12-29-33-19)13-21(17)32-24(18)27;1-29-10-18(24-11-29)21(30)23-6-4-13-9-15-19(26-13)14-3-2-12(16-5-7-25-28-16)8-17(14)27-20(15)22;2*1-11-25-18(10-30-11)21(29)23-6-4-13-9-15-19(26-13)14-3-2-12(16-5-7-24-28-16)8-17(14)27-20(15)22;21-19-14-8-12(3-5-23-20(28)17-9-22-10-29-17)25-18(14)13-2-1-11(7-16(13)26-19)15-4-6-24-27-15;;;;;/h4-8,10,12-14,30H,9,11H2,1-3H3,(H2,27,32)(H,28,34)(H,29,33);2-3,5,7-11,26H,4,6H2,1H3,(H2,22,27)(H,23,30)(H,25,28);2*2-3,5,7-10,26H,4,6H2,1H3,(H2,22,27)(H,23,29)(H,24,28);1-2,4,6-10,25H,3,5H2,(H2,21,26)(H,23,28)(H,24,27);5*1H4.

What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane?

N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane has a molecular weight of 2140.54 g/mol, XLogP of 18.96, 25 rotatable bonds, 20 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-6-tert-butylpyridine-2-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[2-[4-amino-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-2-yl]ethyl]-1,3-oxazole-5-carboxamide;methane is sourced from PubChem (CID 158332041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).