6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

C116H109Cl3N28O — CID 159832787

About 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 159832787) has the molecular formula C116H109Cl3N28O and a molecular weight of 2017.70 g/mol. Its IUPAC name is 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

• Compound Name: 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
• PubChem CID: 159832787
• Molecular Formula: C116H109Cl3N28O
• Molecular Weight: 2017.70 g/mol
• Exact Mass: 2014.84
• IUPAC Name: 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
• SMILES: Cc1cc2cc(CO)ccc2n1C.Cc1cc2cc(Cn3cc4c(Cl)nccc4n3)ccc2n1C.Cc1cc2cc(Cn3cc4c(NCc5ccc6c(N)nccc6c5)nccc4n3)ccc2n1C.Cc1cc2cc(Cn3ncc4c(Cl)nccc43)ccc2n1C.Cc1cc2cc(Cn3ncc4c(NCc5ccc6c(N)nccc6c5)nccc43)ccc2n1C.Clc1nccc2c1C=NC2.NCc1ccc2c(N)nccc2c1
• InChI: InChI=1S/2C27H25N7.2C17H15ClN4.C11H13NO.C10H11N3.C7H5ClN2/c1-17-11-21-13-19(4-6-24(21)33(17)2)16-34-25-8-10-30-27(23(25)15-32-34)31-14-18-3-5-22-20(12-18)7-9-29-26(22)28;1-17-11-21-13-19(4-6-25(21)33(17)2)15-34-16-23-24(32-34)8-10-30-27(23)31-14-18-3-5-22-20(12-18)7-9-29-26(22)28;1-11-7-13-8-12(3-4-15(13)21(11)2)10-22-16-5-6-19-17(18)14(16)9-20-22;1-11-7-13-8-12(3-4-16(13)21(11)2)9-22-10-14-15(20-22)5-6-19-17(14)18;1-8-5-10-6-9(7-13)3-4-11(10)12(8)2;11-6-7-1-2-9-8(5-7)3-4-13-10(9)12;8-7-6-4-9-3-5(6)1-2-10-7/h3-13,15H,14,16H2,1-2H3,(H2,28,29)(H,30,31);3-13,16H,14-15H2,1-2H3,(H2,28,29)(H,30,31);3-9H,10H2,1-2H3;3-8,10H,9H2,1-2H3;3-6,13H,7H2,1-2H3;1-5H,6,11H2,(H2,12,13);1-2,4H,3H2
• InChIKey: NNRBXAQUPKCBPA-UHFFFAOYSA-N
• XLogP: 22.83
• TPSA: 359.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2017.70
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?

The IUPAC name of 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (CID 159832787) is 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

What is the SMILES notation for 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?

The canonical SMILES for 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is Cc1cc2cc(CO)ccc2n1C.Cc1cc2cc(Cn3cc4c(Cl)nccc4n3)ccc2n1C.Cc1cc2cc(Cn3cc4c(NCc5ccc6c(N)nccc6c5)nccc4n3)ccc2n1C.Cc1cc2cc(Cn3ncc4c(Cl)nccc43)ccc2n1C.Cc1cc2cc(Cn3ncc4c(NCc5ccc6c(N)nccc6c5)nccc43)ccc2n1C.Clc1nccc2c1C=NC2.NCc1ccc2c(N)nccc2c1.

What is the InChIKey of 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?

The InChIKey is NNRBXAQUPKCBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H25N7.2C17H15ClN4.C11H13NO.C10H11N3.C7H5ClN2/c1-17-11-21-13-19(4-6-24(21)33(17)2)16-34-25-8-10-30-27(23(25)15-32-34)31-14-18-3-5-22-20(12-18)7-9-29-26(22)28;1-17-11-21-13-19(4-6-25(21)33(17)2)15-34-16-23-24(32-34)8-10-30-27(23)31-14-18-3-5-22-20(12-18)7-9-29-26(22)28;1-11-7-13-8-12(3-4-15(13)21(11)2)10-22-16-5-6-19-17(18)14(16)9-20-22;1-11-7-13-8-12(3-4-16(13)21(11)2)9-22-10-14-15(20-22)5-6-19-17(14)18;1-8-5-10-6-9(7-13)3-4-11(10)12(8)2;11-6-7-1-2-9-8(5-7)3-4-13-10(9)12;8-7-6-4-9-3-5(6)1-2-10-7/h3-13,15H,14,16H2,1-2H3,(H2,28,29)(H,30,31);3-13,16H,14-15H2,1-2H3,(H2,28,29)(H,30,31);3-9H,10H2,1-2H3;3-8,10H,9H2,1-2H3;3-6,13H,7H2,1-2H3;1-5H,6,11H2,(H2,12,13);1-2,4H,3H2.

What are the key properties of 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?

6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine has a molecular weight of 2017.70 g/mol, XLogP of 22.83, 16 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)isoquinolin-1-amine;4-chloro-1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;(1,2-dimethylindol-5-yl)methanol;6-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 159832787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).