N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

C28H26FN9O — CID 137042538

About N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 137042538) has the molecular formula C28H26FN9O and a molecular weight of 523.58 g/mol. Its IUPAC name is N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 137042538
• Molecular Formula: C28H26FN9O
• Molecular Weight: 523.58 g/mol
• Exact Mass: 523.22
• IUPAC Name: N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: COc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(NCCN(C)C)c6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C28H26FN9O/c1-38(2)9-8-31-19-11-16(10-18(29)13-19)21-6-7-32-27-24(21)34-28(35-27)26-25-23(36-37-26)5-4-22(33-25)17-12-20(39-3)15-30-14-17/h4-7,10-15,31H,8-9H2,1-3H3,(H,36,37)(H,32,34,35)
• InChIKey: FLFJPXZBYOGLIR-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 120.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.58
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 137042538) is N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is COc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(F)cc(NCCN(C)C)c6)c5[nH]4)c3n2)c1.

What is the InChIKey of N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is FLFJPXZBYOGLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN9O/c1-38(2)9-8-31-19-11-16(10-18(29)13-19)21-6-7-32-27-24(21)34-28(35-27)26-25-23(36-37-26)5-4-22(33-25)17-12-20(39-3)15-30-14-17/h4-7,10-15,31H,8-9H2,1-3H3,(H,36,37)(H,32,34,35).

What are the key properties of N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 523.58 g/mol, XLogP of 4.75, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 137042538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).