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

C28H25N9 — CID 137088762

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

N-hex-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 137088762) has the molecular formula C28H25N9 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-hex-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-hex-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 137088762
• Molecular Formula: C28H25N9
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.22
• IUPAC Name: N-hex-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(CCCC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C28H25N9/c1-3-4-7-17(2)32-19-14-18(15-29-16-19)20-9-10-23-26(33-20)27(37-36-23)28-34-22-11-13-31-24(25(22)35-28)21-8-5-6-12-30-21/h5-6,8-16,32H,2-4,7H2,1H3,(H,34,35)(H,36,37)
• InChIKey: UZBSTEFMJQTEDD-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 120.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-hex-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 137088762) is N-hex-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-hex-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C=C(CCCC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)nccc5[nH]4)c3n2)c1.

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

The InChIKey is UZBSTEFMJQTEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N9/c1-3-4-7-17(2)32-19-14-18(15-29-16-19)20-9-10-23-26(33-20)27(37-36-23)28-34-22-11-13-31-24(25(22)35-28)21-8-5-6-12-30-21/h5-6,8-16,32H,2-4,7H2,1H3,(H,34,35)(H,36,37).

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

N-hex-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 487.57 g/mol, XLogP of 6.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-hex-1-en-2-yl-5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137088762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).