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

C20H19F2N7OS — CID 164520694

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

cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520694) has the molecular formula C20H19F2N7OS and a molecular weight of 443.48 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164520694
• Molecular Formula: C20H19F2N7OS
• Molecular Weight: 443.48 g/mol
• Exact Mass: 443.13
• IUPAC Name: cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CSc1c(F)c(N(C)C)c2[nH]ncc2c1-c1cn2cc(NC(=O)[C@@H]3C[C@@H]3F)nc2cn1
• InChI: InChI=1S/C20H19F2N7OS/c1-28(2)18-16(22)19(31-3)15(10-5-24-27-17(10)18)12-7-29-8-13(25-14(29)6-23-12)26-20(30)9-4-11(9)21/h5-9,11H,4H2,1-3H3,(H,24,27)(H,26,30)/t9-,11+/m1/s1
• InChIKey: IPVZBEROPGZFCE-KOLCDFICSA-N
• XLogP: 3.50
• TPSA: 91.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.48
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520694) is cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-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-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CSc1c(F)c(N(C)C)c2[nH]ncc2c1-c1cn2cc(NC(=O)[C@@H]3C[C@@H]3F)nc2cn1.

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

The InChIKey is IPVZBEROPGZFCE-KOLCDFICSA-N. The full InChI is InChI=1S/C20H19F2N7OS/c1-28(2)18-16(22)19(31-3)15(10-5-24-27-17(10)18)12-7-29-8-13(25-14(29)6-23-12)26-20(30)9-4-11(9)21/h5-9,11H,4H2,1-3H3,(H,24,27)(H,26,30)/t9-,11+/m1/s1.

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

cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 3.50, 5 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-[7-(dimethylamino)-6-fluoro-5-methylsulfanyl-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).