2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine

C30H24F3N7O — CID 136938423

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136938423) has the molecular formula C30H24F3N7O and a molecular weight of 555.56 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
• PubChem CID: 136938423
• Molecular Formula: C30H24F3N7O
• Molecular Weight: 555.56 g/mol
• Exact Mass: 555.20
• IUPAC Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
• SMILES: COc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1
• InChI: InChI=1S/C30H24F3N7O/c1-41-22-10-19(9-21(31)12-22)26-28-25(4-6-35-26)36-29(37-28)27-23-11-18(2-3-24(23)38-39-27)20-8-17(13-34-14-20)15-40-7-5-30(32,33)16-40/h2-4,6,8-14H,5,7,15-16H2,1H3,(H,36,37)(H,38,39)
• InChIKey: XXMKLQUPIJYDIK-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 95.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.56
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine (CID 136938423) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine is COc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)c1.

What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine?

The InChIKey is XXMKLQUPIJYDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N7O/c1-41-22-10-19(9-21(31)12-22)26-28-25(4-6-35-26)36-29(37-28)27-23-11-18(2-3-24(23)38-39-27)20-8-17(13-34-14-20)15-40-7-5-30(32,33)16-40/h2-4,6,8-14H,5,7,15-16H2,1H3,(H,36,37)(H,38,39).

What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine?

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 555.56 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136938423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).