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

C23H19ClF2N8O — CID 164520519

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

cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520519) has the molecular formula C23H19ClF2N8O and a molecular weight of 496.91 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-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-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164520519
• Molecular Formula: C23H19ClF2N8O
• Molecular Weight: 496.91 g/mol
• Exact Mass: 496.13
• IUPAC Name: cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: Cc1ccn(C(C)c2c(F)c(Cl)c(-c3cn4cc(NC(=O)[C@@H]5C[C@@H]5F)nc4cn3)c3cn[nH]c23)n1
• InChI: InChI=1S/C23H19ClF2N8O/c1-10-3-4-34(32-10)11(2)18-21(26)20(24)19(13-6-28-31-22(13)18)15-8-33-9-16(29-17(33)7-27-15)30-23(35)12-5-14(12)25/h3-4,6-9,11-12,14H,5H2,1-2H3,(H,28,31)(H,30,35)/t11?,12-,14+/m1/s1
• InChIKey: UWGNMVNFWANSEC-AOUZGSJDSA-N
• XLogP: 4.48
• TPSA: 105.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.91
LogP ≤ 5	4.48
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-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-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-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520519) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-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-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-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-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is Cc1ccn(C(C)c2c(F)c(Cl)c(-c3cn4cc(NC(=O)[C@@H]5C[C@@H]5F)nc4cn3)c3cn[nH]c23)n1.

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

The InChIKey is UWGNMVNFWANSEC-AOUZGSJDSA-N. The full InChI is InChI=1S/C23H19ClF2N8O/c1-10-3-4-34(32-10)11(2)18-21(26)20(24)19(13-6-28-31-22(13)18)15-8-33-9-16(29-17(33)7-27-15)30-23(35)12-5-14(12)25/h3-4,6-9,11-12,14H,5H2,1-2H3,(H,28,31)(H,30,35)/t11?,12-,14+/m1/s1.

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

cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 496.91 g/mol, XLogP of 4.48, 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-[5-chloro-6-fluoro-7-[1-(3-methylpyrazol-1-yl)ethyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).