N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

C20H14ClF2N7O — CID 164717885

About N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide

N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164717885) has the molecular formula C20H14ClF2N7O and a molecular weight of 441.83 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164717885
• Molecular Formula: C20H14ClF2N7O
• Molecular Weight: 441.83 g/mol
• Exact Mass: 441.09
• IUPAC Name: N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: C#CCNc1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12
• InChI: InChI=1S/C20H14ClF2N7O/c1-2-3-24-19-17(23)16(21)15(10-5-26-29-18(10)19)12-7-30-8-13(27-14(30)6-25-12)28-20(31)9-4-11(9)22/h1,5-9,11,24H,3-4H2,(H,26,29)(H,28,31)
• InChIKey: PVMMCPPFLXTCOS-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 100.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.83
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164717885) is N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is C#CCNc1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CC4F)nc3cn2)c2cn[nH]c12.

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

The InChIKey is PVMMCPPFLXTCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N7O/c1-2-3-24-19-17(23)16(21)15(10-5-26-29-18(10)19)12-7-30-8-13(27-14(30)6-25-12)28-20(31)9-4-11(9)22/h1,5-9,11,24H,3-4H2,(H,26,29)(H,28,31).

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

N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 441.83 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164717885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).