N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane

C22H20ClFN8O — CID 163220664

About N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane

N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane (PubChem CID 163220664) has the molecular formula C22H20ClFN8O and a molecular weight of 466.91 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane.

Molecular Properties

• Compound Name: N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane
• PubChem CID: 163220664
• Molecular Formula: C22H20ClFN8O
• Molecular Weight: 466.91 g/mol
• Exact Mass: 466.14
• IUPAC Name: N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane
• SMILES: C1CC1.CC(c1c(F)c(Cl)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12)n1ccnc1
• InChI: InChI=1S/C19H14ClFN8O.C3H6/c1-10(28-3-2-22-8-28)15-18(21)17(20)16(11-4-25-27-19(11)15)12-6-29-7-13(24-9-30)26-14(29)5-23-12;1-2-3-1/h2-10H,1H3,(H,24,30)(H,25,27);1-3H2
• InChIKey: IRQWUYAYQDARMG-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 105.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.91
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?

The IUPAC name of N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane (CID 163220664) is N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane.

What is the SMILES notation for N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?

The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane is C1CC1.CC(c1c(F)c(Cl)c(-c2cn3cc(NC=O)nc3cn2)c2cn[nH]c12)n1ccnc1.

What is the InChIKey of N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?

The InChIKey is IRQWUYAYQDARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN8O.C3H6/c1-10(28-3-2-22-8-28)15-18(21)17(20)16(11-4-25-27-19(11)15)12-6-29-7-13(24-9-30)26-14(29)5-23-12;1-2-3-1/h2-10H,1H3,(H,24,30)(H,25,27);1-3H2.

What are the key properties of N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane?

N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane has a molecular weight of 466.91 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-chloro-6-fluoro-7-(1-imidazol-1-ylethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide;cyclopropane is sourced from PubChem (CID 163220664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).