About 4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane
4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane (PubChem CID 159266565) has the molecular formula C132H149Cl3N36O18S2
and a molecular weight of 2698.37 g/mol. Its IUPAC name is 4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane.
Frequently Asked Questions
What is the IUPAC name of 4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane?
The IUPAC name of 4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane (CID 159266565) is 4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane.
What is the SMILES notation for 4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane?
The canonical SMILES for 4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane is C1CCNC1.CC(N)c1ncccn1.COc1ccc(Cn2c(=O)c(-c3nc4cc(C(=O)N5CCCC5)c(C)cc4[nH]3)c(Cl)c3nn(C)cc32)cc1.COc1ccc(Cn2c(=O)c(C=O)c(Cl)c3nn(C)cc32)cc1.Cc1cc(N)c(N)cc1C(=O)N1CCCC1.Cc1cc(N)c([N+](=O)[O-])cc1C(=O)N1CCCC1.Cc1cc(N)c([N+](=O)[O-])cc1C(=O)O.Cc1cc2[nH]c(-c3c(Cl)c4nn(C)cc4[nH]c3=O)nc2cc1C(=O)N1CCCC1.Cc1cc2[nH]c(-c3c(N[C@@H](C)c4ncccn4)c4nn(C)cc4[nH]c3=O)nc2cc1C(=O)N1CCCC1.S.S.
What is the InChIKey of 4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane?
The InChIKey is KXEGMJCMBWJBRB-KHJLMNSVSA-N. The full InChI is InChI=1S/C28H27ClN6O3.C26H27N9O2.C20H19ClN6O2.C16H14ClN3O3.C12H15N3O3.C12H17N3O.C8H8N2O4.C6H9N3.C4H9N.2H2S/c1-16-12-20-21(13-19(16)27(36)34-10-4-5-11-34)31-26(30-20)23-24(29)25-22(15-33(2)32-25)35(28(23)37)14-17-6-8-18(38-3)9-7-17;1-14-11-17-18(12-16(14)26(37)35-9-4-5-10-35)31-24(30-17)20-22(29-15(2)23-27-7-6-8-28-23)21-19(32-25(20)36)13-34(3)33-21;1-10-7-12-13(8-11(10)20(29)27-5-3-4-6-27)23-18(22-12)15-16(21)17-14(24-19(15)28)9-26(2)25-17;1-19-8-13-15(18-19)14(17)12(9-21)16(22)20(13)7-10-3-5-11(23-2)6-4-10;1-8-6-10(13)11(15(17)18)7-9(8)12(16)14-4-2-3-5-14;1-8-6-10(13)11(14)7-9(8)12(16)15-4-2-3-5-15;1-4-2-6(9)7(10(13)14)3-5(4)8(11)12;1-5(7)6-8-3-2-4-9-6;1-2-4-5-3-1;;/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H,30,31);6-8,11-13,15,29H,4-5,9-10H2,1-3H3,(H,30,31)(H,32,36);7-9H,3-6H2,1-2H3,(H,22,23)(H,24,28);3-6,8-9H,7H2,1-2H3;6-7H,2-5,13H2,1H3;6-7H,2-5,13-14H2,1H3;2-3H,9H2,1H3,(H,11,12);2-5H,7H2,1H3;5H,1-4H2;2*1H2/t;15-;;;;;;;;;/m.0........./s1.
What are the key properties of 4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane?
4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane has a molecular weight of 2698.37 g/mol, XLogP of 18.50, 22 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-nitrobenzoic acid;(4-amino-2-methyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-one;7-chloro-4-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carbaldehyde;7-chloro-2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-4H-pyrazolo[4,3-b]pyridin-5-one;(4,5-diamino-2-methylphenyl)-pyrrolidin-1-ylmethanone;2-methyl-6-[6-methyl-5-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;1-pyrimidin-2-ylethanamine;pyrrolidine;sulfane is sourced from PubChem (CID 159266565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).