1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine

C32H25N7 — CID 137034107

About 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine

1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine (PubChem CID 137034107) has the molecular formula C32H25N7 and a molecular weight of 507.60 g/mol. Its IUPAC name is 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine
• PubChem CID: 137034107
• Molecular Formula: C32H25N7
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.22
• IUPAC Name: 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine
• SMILES: c1ccc(CNCc2cccc(-c3cc4c(-c5cc6c(-c7ccncc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1
• InChI: InChI=1S/C32H25N7/c1-2-5-21(6-3-1)18-34-19-22-7-4-8-24(15-22)28-16-26-30(20-36-28)38-39-32(26)29-17-25-27(37-29)11-14-35-31(25)23-9-12-33-13-10-23/h1-17,20,34,37H,18-19H2,(H,38,39)
• InChIKey: XYKJETUSKBENSO-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine?

The IUPAC name of 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine (CID 137034107) is 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine.

What is the SMILES notation for 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine?

The canonical SMILES for 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine is c1ccc(CNCc2cccc(-c3cc4c(-c5cc6c(-c7ccncc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1.

What is the InChIKey of 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine?

The InChIKey is XYKJETUSKBENSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N7/c1-2-5-21(6-3-1)18-34-19-22-7-4-8-24(15-22)28-16-26-30(20-36-28)38-39-32(26)29-17-25-27(37-29)11-14-35-31(25)23-9-12-33-13-10-23/h1-17,20,34,37H,18-19H2,(H,38,39).

What are the key properties of 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine?

1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine has a molecular weight of 507.60 g/mol, XLogP of 6.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-N-[[3-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]methanamine is sourced from PubChem (CID 137034107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).