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

C21H18F2N6OS — CID 164520652

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

cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methylsulfanyl-7-prop-1-en-2-yl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide (PubChem CID 164520652) has the molecular formula C21H18F2N6OS and a molecular weight of 440.48 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methylsulfanyl-7-prop-1-en-2-yl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methylsulfanyl-7-prop-1-en-2-yl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 164520652
• Molecular Formula: C21H18F2N6OS
• Molecular Weight: 440.48 g/mol
• Exact Mass: 440.12
• IUPAC Name: cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methylsulfanyl-7-prop-1-en-2-yl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide
• SMILES: C=C(C)c1c(F)c(SC)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
• InChI: InChI=1S/C21H18F2N6OS/c1-9(2)16-18(23)20(31-3)17(11-5-25-28-19(11)16)13-7-29-8-14(26-15(29)6-24-13)27-21(30)10-4-12(10)22/h5-8,10,12H,1,4H2,2-3H3,(H,25,28)(H,27,30)/t10-,12+/m1/s1
• InChIKey: LAQXTCBGXSOMEY-PWSUYJOCSA-N
• XLogP: 4.46
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.48
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methylsulfanyl-7-prop-1-en-2-yl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide (CID 164520652) is cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methylsulfanyl-7-prop-1-en-2-yl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methylsulfanyl-7-prop-1-en-2-yl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methylsulfanyl-7-prop-1-en-2-yl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide is C=C(C)c1c(F)c(SC)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12.

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

The InChIKey is LAQXTCBGXSOMEY-PWSUYJOCSA-N. The full InChI is InChI=1S/C21H18F2N6OS/c1-9(2)16-18(23)20(31-3)17(11-5-25-28-19(11)16)13-7-29-8-14(26-15(29)6-24-13)27-21(30)10-4-12(10)22/h5-8,10,12H,1,4H2,2-3H3,(H,25,28)(H,27,30)/t10-,12+/m1/s1.

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

cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methylsulfanyl-7-prop-1-en-2-yl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-5-methylsulfanyl-7-prop-1-en-2-yl-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164520652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).