N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine

C24H20FN9 — CID 171803513

About N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine

N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 171803513) has the molecular formula C24H20FN9 and a molecular weight of 453.49 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

• Compound Name: N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine
• PubChem CID: 171803513
• Molecular Formula: C24H20FN9
• Molecular Weight: 453.49 g/mol
• Exact Mass: 453.18
• IUPAC Name: N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine
• SMILES: Cc1cnc2[nH]nc(NCc3ccc(-c4ccnc5nc(-c6cnn(C)c6)[nH]c45)cc3F)c2c1
• InChI: InChI=1S/C24H20FN9/c1-13-7-18-22(27-9-13)32-33-23(18)28-10-15-4-3-14(8-19(15)25)17-5-6-26-24-20(17)30-21(31-24)16-11-29-34(2)12-16/h3-9,11-12H,10H2,1-2H3,(H,26,30,31)(H2,27,28,32,33)
• InChIKey: RTJVQNFVMKVMNR-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 112.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.49
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine?

The IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 171803513) is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine.

What is the SMILES notation for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine?

The canonical SMILES for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine is Cc1cnc2[nH]nc(NCc3ccc(-c4ccnc5nc(-c6cnn(C)c6)[nH]c45)cc3F)c2c1.

What is the InChIKey of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine?

The InChIKey is RTJVQNFVMKVMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN9/c1-13-7-18-22(27-9-13)32-33-23(18)28-10-15-4-3-14(8-19(15)25)17-5-6-26-24-20(17)30-21(31-24)16-11-29-34(2)12-16/h3-9,11-12H,10H2,1-2H3,(H,26,30,31)(H2,27,28,32,33).

What are the key properties of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine?

N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 453.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methyl-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 171803513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).