6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

C116H103BrCl3N33 — CID 157370985

About 6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 157370985) has the molecular formula C116H103BrCl3N33 and a molecular weight of 2145.59 g/mol. Its IUPAC name is 6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

• Compound Name: 6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
• PubChem CID: 157370985
• Molecular Formula: C116H103BrCl3N33
• Molecular Weight: 2145.59 g/mol
• Exact Mass: 2141.73
• IUPAC Name: 6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
• SMILES: BrCc1ccc(Cn2cccn2)cc1.Clc1nccc2c1C=NC2.Clc1nccc2c1cnn2Cc1ccc(Cn2cccn2)cc1.Clc1nccc2nn(Cc3ccc(Cn4cccn4)cc3)cc12.NCc1ccc2c(N)nccc2c1.Nc1nccc2cc(CNc3nccc4c3cnn4Cc3ccc(Cn4cccn4)cc3)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)ccc12
• InChI: InChI=1S/2C27H24N8.2C17H14ClN5.C11H11BrN2.C10H11N3.C7H5ClN2/c28-26-23-7-6-21(14-22(23)8-11-29-26)15-31-27-24-16-33-35(25(24)9-12-30-27)18-20-4-2-19(3-5-20)17-34-13-1-10-32-34;28-26-23-7-6-21(14-22(23)8-11-29-26)15-31-27-24-18-35(33-25(24)9-12-30-27)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34;18-17-15-10-21-23(16(15)6-8-19-17)12-14-4-2-13(3-5-14)11-22-9-1-7-20-22;18-17-15-12-23(21-16(15)6-8-19-17)11-14-4-2-13(3-5-14)10-22-9-1-7-20-22;12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14;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/h1-14,16H,15,17-18H2,(H2,28,29)(H,30,31);1-14,18H,15-17H2,(H2,28,29)(H,30,31);1-10H,11-12H2;1-9,12H,10-11H2;1-7H,8-9H2;1-5H,6,11H2,(H2,12,13);1-2,4H,3H2
• InChIKey: BJTKDHGKKHFKQJ-UHFFFAOYSA-N
• XLogP: 21.46
• TPSA: 404.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2145.59
LogP ≤ 5	21.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (CID 157370985) is 6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

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

The canonical SMILES for 6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is BrCc1ccc(Cn2cccn2)cc1.Clc1nccc2c1C=NC2.Clc1nccc2c1cnn2Cc1ccc(Cn2cccn2)cc1.Clc1nccc2nn(Cc3ccc(Cn4cccn4)cc3)cc12.NCc1ccc2c(N)nccc2c1.Nc1nccc2cc(CNc3nccc4c3cnn4Cc3ccc(Cn4cccn4)cc3)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)ccc12.

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

The InChIKey is BJTKDHGKKHFKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H24N8.2C17H14ClN5.C11H11BrN2.C10H11N3.C7H5ClN2/c28-26-23-7-6-21(14-22(23)8-11-29-26)15-31-27-24-16-33-35(25(24)9-12-30-27)18-20-4-2-19(3-5-20)17-34-13-1-10-32-34;28-26-23-7-6-21(14-22(23)8-11-29-26)15-31-27-24-18-35(33-25(24)9-12-30-27)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34;18-17-15-10-21-23(16(15)6-8-19-17)12-14-4-2-13(3-5-14)11-22-9-1-7-20-22;18-17-15-12-23(21-16(15)6-8-19-17)11-14-4-2-13(3-5-14)10-22-9-1-7-20-22;12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14;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/h1-14,16H,15,17-18H2,(H2,28,29)(H,30,31);1-14,18H,15-17H2,(H2,28,29)(H,30,31);1-10H,11-12H2;1-9,12H,10-11H2;1-7H,8-9H2;1-5H,6,11H2,(H2,12,13);1-2,4H,3H2.

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

6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine has a molecular weight of 2145.59 g/mol, XLogP of 21.46, 26 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(aminomethyl)isoquinolin-1-amine;1-[[4-(bromomethyl)phenyl]methyl]pyrazole;4-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridine;4-chloro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine;4-chloro-1H-pyrrolo[3,4-c]pyridine;6-[[[1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 157370985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).