5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine

C28H24FN9 — CID 145035234

About 5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine

5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine (PubChem CID 145035234) has the molecular formula C28H24FN9 and a molecular weight of 505.56 g/mol. Its IUPAC name is 5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine
• PubChem CID: 145035234
• Molecular Formula: C28H24FN9
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.21
• IUPAC Name: 5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ncc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3c2F)c1)C(C)CC
• InChI: InChI=1S/C28H24FN9/c1-4-15(2)16(3)34-19-11-18(12-31-13-19)24-23(29)22-21(14-33-24)37-38-26(22)28-35-25-20(7-10-32-27(25)36-28)17-5-8-30-9-6-17/h5-15,34H,3-4H2,1-2H3,(H,37,38)(H,32,35,36)
• InChIKey: XVDFJKKUHVEXEG-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 120.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine (CID 145035234) is 5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine.

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

The canonical SMILES for 5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine is C=C(Nc1cncc(-c2ncc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3c2F)c1)C(C)CC.

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

The InChIKey is XVDFJKKUHVEXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN9/c1-4-15(2)16(3)34-19-11-18(12-31-13-19)24-23(29)22-21(14-33-24)37-38-26(22)28-35-25-20(7-10-32-27(25)36-28)17-5-8-30-9-6-17/h5-15,34H,3-4H2,1-2H3,(H,37,38)(H,32,35,36).

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

5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine has a molecular weight of 505.56 g/mol, XLogP of 6.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-methylpent-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145035234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).