N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide

C23H20ClFN8O — CID 166985515

About N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide

N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 166985515) has the molecular formula C23H20ClFN8O and a molecular weight of 478.92 g/mol. Its IUPAC name is N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 166985515
• Molecular Formula: C23H20ClFN8O
• Molecular Weight: 478.92 g/mol
• Exact Mass: 478.14
• IUPAC Name: N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide
• SMILES: CC(NC1(C#N)CC1)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CC4)nc3cn2)c2cn[nH]c12
• InChI: InChI=1S/C23H20ClFN8O/c1-11(31-23(10-26)4-5-23)17-20(25)19(24)18(13-6-28-32-21(13)17)14-8-33-9-15(29-16(33)7-27-14)30-22(34)12-2-3-12/h6-9,11-12,31H,2-5H2,1H3,(H,28,32)(H,30,34)
• InChIKey: AJYZFMKQCZNTQL-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 123.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.92
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide (CID 166985515) is N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide is CC(NC1(C#N)CC1)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CC4)nc3cn2)c2cn[nH]c12.

What is the InChIKey of N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide?

The InChIKey is AJYZFMKQCZNTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN8O/c1-11(31-23(10-26)4-5-23)17-20(25)19(24)18(13-6-28-32-21(13)17)14-8-33-9-15(29-16(33)7-27-14)30-22(34)12-2-3-12/h6-9,11-12,31H,2-5H2,1H3,(H,28,32)(H,30,34).

What are the key properties of N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide?

N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 478.92 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-chloro-7-[1-[(1-cyanocyclopropyl)amino]ethyl]-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166985515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).