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

C20H19F2N7O2 — CID 169195946

About cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methoxy-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-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 169195946) has the molecular formula C20H19F2N7O2 and a molecular weight of 427.42 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methoxy-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-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 169195946
• Molecular Formula: C20H19F2N7O2
• Molecular Weight: 427.42 g/mol
• Exact Mass: 427.16
• IUPAC Name: cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: COc1c(F)c(N(C)C)c2[nH]ncc2c1-c1cn2cc(NC(=O)[C@@H]3C[C@@H]3F)nc2cn1
• InChI: InChI=1S/C20H19F2N7O2/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: QIKDURIQMYKRFH-KOLCDFICSA-N
• XLogP: 2.78
• TPSA: 100.44 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	427.42
LogP ≤ 5	2.78
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-methoxy-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-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 169195946) is cis-(1S,2S)-N-[6-[7-(dimethylamino)-6-fluoro-5-methoxy-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-methoxy-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-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is COc1c(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-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is QIKDURIQMYKRFH-KOLCDFICSA-N. The full InChI is InChI=1S/C20H19F2N7O2/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-methoxy-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-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 427.42 g/mol, XLogP of 2.78, 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-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 169195946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).