N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

C28H25F2N9 — CID 137135516

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

N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 137135516) has the molecular formula C28H25F2N9 and a molecular weight of 525.57 g/mol. Its IUPAC name is N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 137135516
• Molecular Formula: C28H25F2N9
• Molecular Weight: 525.57 g/mol
• Exact Mass: 525.22
• IUPAC Name: N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CN(C)CCNc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)c(F)c45)[nH]c23)c1
• InChI: InChI=1S/C28H25F2N9/c1-39(2)8-7-33-19-11-15(9-17(29)12-19)21-5-6-34-27-25(21)35-28(36-27)26-23-22(37-38-26)4-3-20(24(23)30)16-10-18(31)14-32-13-16/h3-6,9-14,33H,7-8,31H2,1-2H3,(H,37,38)(H,34,35,36)
• InChIKey: ITVPOFDUPKNVNA-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 124.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.57
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine (CID 137135516) is N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine.

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

The canonical SMILES for N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)c(F)c45)[nH]c23)c1.

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

The InChIKey is ITVPOFDUPKNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N9/c1-39(2)8-7-33-19-11-15(9-17(29)12-19)21-5-6-34-27-25(21)35-28(36-27)26-23-22(37-38-26)4-3-20(24(23)30)16-10-18(31)14-32-13-16/h3-6,9-14,33H,7-8,31H2,1-2H3,(H,37,38)(H,34,35,36).

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

N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 525.57 g/mol, XLogP of 5.06, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 137135516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).