N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C27H21FN8 — CID 145034759

About N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145034759) has the molecular formula C27H21FN8 and a molecular weight of 476.52 g/mol. Its IUPAC name is N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145034759
• Molecular Formula: C27H21FN8
• Molecular Weight: 476.52 g/mol
• Exact Mass: 476.19
• IUPAC Name: N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(CC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)nccc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C27H21FN8/c1-3-15(2)32-18-11-17(13-30-14-18)19-6-7-20-22(23(19)28)26(36-35-20)27-33-21-8-10-31-24(25(21)34-27)16-5-4-9-29-12-16/h4-14,32H,2-3H2,1H3,(H,33,34)(H,35,36)
• InChIKey: JGGPGTOWZPZESP-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.52
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145034759) is N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(CC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)nccc5[nH]4)c3c2F)c1.

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

The InChIKey is JGGPGTOWZPZESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN8/c1-3-15(2)32-18-11-17(13-30-14-18)19-6-7-20-22(23(19)28)26(36-35-20)27-33-21-8-10-31-24(25(21)34-27)16-5-4-9-29-12-16/h4-14,32H,2-3H2,1H3,(H,33,34)(H,35,36).

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

N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 476.52 g/mol, XLogP of 6.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-but-1-en-2-yl-5-[4-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145034759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).