cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid

C21H20ClF2N7O4 — CID 165076763

About cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid

cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid (PubChem CID 165076763) has the molecular formula C21H20ClF2N7O4 and a molecular weight of 507.89 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid
• PubChem CID: 165076763
• Molecular Formula: C21H20ClF2N7O4
• Molecular Weight: 507.89 g/mol
• Exact Mass: 507.12
• IUPAC Name: cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid
• SMILES: CC(CO)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12.O=CO
• InChI: InChI=1S/C20H18ClF2N7O2.CH2O2/c1-8(7-31)26-19-17(23)16(21)15(10-3-25-29-18(10)19)12-5-30-6-13(27-14(30)4-24-12)28-20(32)9-2-11(9)22;2-1-3/h3-6,8-9,11,26,31H,2,7H2,1H3,(H,25,29)(H,28,32);1H,(H,2,3)/t8?,9-,11+;/m1./s1
• InChIKey: UKYJPOSRUGCKGP-KAYPOBQRSA-N
• XLogP: 2.86
• TPSA: 157.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.89
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid?

The IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid (CID 165076763) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid.

What is the SMILES notation for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid?

The canonical SMILES for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid is CC(CO)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12.O=CO.

What is the InChIKey of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid?

The InChIKey is UKYJPOSRUGCKGP-KAYPOBQRSA-N. The full InChI is InChI=1S/C20H18ClF2N7O2.CH2O2/c1-8(7-31)26-19-17(23)16(21)15(10-3-25-29-18(10)19)12-5-30-6-13(27-14(30)4-24-12)28-20(32)9-2-11(9)22;2-1-3/h3-6,8-9,11,26,31H,2,7H2,1H3,(H,25,29)(H,28,32);1H,(H,2,3)/t8?,9-,11+;/m1./s1.

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

cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid has a molecular weight of 507.89 g/mol, XLogP of 2.86, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid is sourced from PubChem (CID 165076763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).