N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide

C21H23ClFN7O — CID 169196167

About N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide

N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide (PubChem CID 169196167) has the molecular formula C21H23ClFN7O and a molecular weight of 443.91 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide.

Molecular Properties

• Compound Name: N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide
• PubChem CID: 169196167
• Molecular Formula: C21H23ClFN7O
• Molecular Weight: 443.91 g/mol
• Exact Mass: 443.16
• IUPAC Name: N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide
• SMILES: CCCCC(=O)Nc1cn2cc(-c3c(Cl)c(F)c(NC(C)C)c4[nH]ncc34)ncc2n1
• InChI: InChI=1S/C21H23ClFN7O/c1-4-5-6-16(31)28-14-10-30-9-13(24-8-15(30)27-14)17-12-7-25-29-20(12)21(26-11(2)3)19(23)18(17)22/h7-11,26H,4-6H2,1-3H3,(H,25,29)(H,28,31)
• InChIKey: QTAYJWRZQNQMPY-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 100.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.91
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide (CID 169196167) is N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide.

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

The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide is CCCCC(=O)Nc1cn2cc(-c3c(Cl)c(F)c(NC(C)C)c4[nH]ncc34)ncc2n1.

What is the InChIKey of N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide?

The InChIKey is QTAYJWRZQNQMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN7O/c1-4-5-6-16(31)28-14-10-30-9-13(24-8-15(30)27-14)17-12-7-25-29-20(12)21(26-11(2)3)19(23)18(17)22/h7-11,26H,4-6H2,1-3H3,(H,25,29)(H,28,31).

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

N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide has a molecular weight of 443.91 g/mol, XLogP of 5.01, 7 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-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide is sourced from PubChem (CID 169196167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).