2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide

C31H23N7O2 — CID 91103245

About 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide (PubChem CID 91103245) has the molecular formula C31H23N7O2 and a molecular weight of 525.57 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide
• PubChem CID: 91103245
• Molecular Formula: C31H23N7O2
• Molecular Weight: 525.57 g/mol
• Exact Mass: 525.19
• IUPAC Name: 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide
• SMILES: NCc1cc(C(=O)Nc2ccc(N(c3cccc4c3oc3ccccc34)c3nccc4ccnn34)cc2)ccn1
• InChI: InChI=1S/C31H23N7O2/c32-19-22-18-20(12-15-33-22)30(39)36-21-8-10-23(11-9-21)37(31-34-16-13-24-14-17-35-38(24)31)27-6-3-5-26-25-4-1-2-7-28(25)40-29(26)27/h1-18H,19,32H2,(H,36,39)
• InChIKey: DVMPLOFAPTZIFB-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 114.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.57
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide?

The IUPAC name of 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide (CID 91103245) is 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide?

The canonical SMILES for 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide is NCc1cc(C(=O)Nc2ccc(N(c3cccc4c3oc3ccccc34)c3nccc4ccnn34)cc2)ccn1.

What is the InChIKey of 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide?

The InChIKey is DVMPLOFAPTZIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N7O2/c32-19-22-18-20(12-15-33-22)30(39)36-21-8-10-23(11-9-21)37(31-34-16-13-24-14-17-35-38(24)31)27-6-3-5-26-25-4-1-2-7-28(25)40-29(26)27/h1-18H,19,32H2,(H,36,39).

What are the key properties of 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide?

2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide has a molecular weight of 525.57 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 91103245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).