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

C20H14ClF2N7O — CID 164718237

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

N-[6-[5-chloro-7-(cyanomethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718237) has the molecular formula C20H14ClF2N7O and a molecular weight of 441.83 g/mol. Its IUPAC name is N-[6-[5-chloro-7-(cyanomethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-chloro-7-(cyanomethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 164718237
• Molecular Formula: C20H14ClF2N7O
• Molecular Weight: 441.83 g/mol
• Exact Mass: 441.09
• IUPAC Name: N-[6-[5-chloro-7-(cyanomethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: N#CCNc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)C4CC4F)cn3c2)c2cn[nH]c12
• InChI: InChI=1S/C20H14ClF2N7O/c21-16-15(11-6-26-29-18(11)19(17(16)23)25-4-3-24)9-1-2-14-27-13(8-30(14)7-9)28-20(31)10-5-12(10)22/h1-2,6-8,10,12,25H,4-5H2,(H,26,29)(H,28,31)
• InChIKey: VKDHDCAZISQCBH-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 110.90 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	3.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[6-[5-chloro-7-(cyanomethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718237) is N-[6-[5-chloro-7-(cyanomethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

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

The canonical SMILES for N-[6-[5-chloro-7-(cyanomethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is N#CCNc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)C4CC4F)cn3c2)c2cn[nH]c12.

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

The InChIKey is VKDHDCAZISQCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N7O/c21-16-15(11-6-26-29-18(11)19(17(16)23)25-4-3-24)9-1-2-14-27-13(8-30(14)7-9)28-20(31)10-5-12(10)22/h1-2,6-8,10,12,25H,4-5H2,(H,26,29)(H,28,31).

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

N-[6-[5-chloro-7-(cyanomethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 441.83 g/mol, XLogP of 3.90, 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-7-(cyanomethylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).