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

C22H20F2N6O3 — CID 169196205

About cis-(1S,2S)-N-[6-[7-[cyclopropyl(hydroxy)methyl]-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-[cyclopropyl(hydroxy)methyl]-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 169196205) has the molecular formula C22H20F2N6O3 and a molecular weight of 454.44 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[7-[cyclopropyl(hydroxy)methyl]-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-[cyclopropyl(hydroxy)methyl]-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 169196205
• Molecular Formula: C22H20F2N6O3
• Molecular Weight: 454.44 g/mol
• Exact Mass: 454.16
• IUPAC Name: cis-(1S,2S)-N-[6-[7-[cyclopropyl(hydroxy)methyl]-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: COc1c(F)c(C(O)C2CC2)c2[nH]ncc2c1-c1cn2cc(NC(=O)[C@@H]3C[C@@H]3F)nc2cn1
• InChI: InChI=1S/C22H20F2N6O3/c1-33-21-16(11-5-26-29-19(11)17(18(21)24)20(31)9-2-3-9)13-7-30-8-14(27-15(30)6-25-13)28-22(32)10-4-12(10)23/h5-10,12,20,31H,2-4H2,1H3,(H,26,29)(H,28,32)/t10-,12+,20?/m1/s1
• InChIKey: DIQDNCXEMRTZKP-FHMUQLROSA-N
• XLogP: 3.16
• TPSA: 117.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.44
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[7-[cyclopropyl(hydroxy)methyl]-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-[cyclopropyl(hydroxy)methyl]-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 169196205) is cis-(1S,2S)-N-[6-[7-[cyclopropyl(hydroxy)methyl]-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-[cyclopropyl(hydroxy)methyl]-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-[cyclopropyl(hydroxy)methyl]-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is COc1c(F)c(C(O)C2CC2)c2[nH]ncc2c1-c1cn2cc(NC(=O)[C@@H]3C[C@@H]3F)nc2cn1.

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

The InChIKey is DIQDNCXEMRTZKP-FHMUQLROSA-N. The full InChI is InChI=1S/C22H20F2N6O3/c1-33-21-16(11-5-26-29-19(11)17(18(21)24)20(31)9-2-3-9)13-7-30-8-14(27-15(30)6-25-13)28-22(32)10-4-12(10)23/h5-10,12,20,31H,2-4H2,1H3,(H,26,29)(H,28,32)/t10-,12+,20?/m1/s1.

What are the key properties of cis-(1S,2S)-N-[6-[7-[cyclopropyl(hydroxy)methyl]-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-[cyclopropyl(hydroxy)methyl]-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 454.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[6-[7-[cyclopropyl(hydroxy)methyl]-6-fluoro-5-methoxy-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 169196205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).