cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

C22H16ClF2N7O2 — CID 165077138

About cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 165077138) has the molecular formula C22H16ClF2N7O2 and a molecular weight of 483.87 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 165077138
• Molecular Formula: C22H16ClF2N7O2
• Molecular Weight: 483.87 g/mol
• Exact Mass: 483.10
• IUPAC Name: cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CC(=O)CC(C#N)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
• InChI: InChI=1S/C22H16ClF2N7O2/c1-9(33)2-10(4-26)17-20(25)19(23)18(12-5-28-31-21(12)17)14-7-32-8-15(29-16(32)6-27-14)30-22(34)11-3-13(11)24/h5-8,10-11,13H,2-3H2,1H3,(H,28,31)(H,30,34)/t10?,11-,13+/m1/s1
• InChIKey: UMMZEKXSKKFTTA-ZNVNOEFISA-N
• XLogP: 3.95
• TPSA: 128.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.87
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 165077138) is cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(=O)CC(C#N)c1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12.

What is the InChIKey of cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is UMMZEKXSKKFTTA-ZNVNOEFISA-N. The full InChI is InChI=1S/C22H16ClF2N7O2/c1-9(33)2-10(4-26)17-20(25)19(23)18(12-5-28-31-21(12)17)14-7-32-8-15(29-16(32)6-27-14)30-22(34)11-3-13(11)24/h5-8,10-11,13H,2-3H2,1H3,(H,28,31)(H,30,34)/t10?,11-,13+/m1/s1.

What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 483.87 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[6-[5-chloro-7-(1-cyano-3-oxobutyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 165077138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).