N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]oxolane-3-carboxamide

C21H21ClFN7O2 — CID 169196068

About N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]oxolane-3-carboxamide

N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]oxolane-3-carboxamide (PubChem CID 169196068) has the molecular formula C21H21ClFN7O2 and a molecular weight of 457.90 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]oxolane-3-carboxamide.

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]oxolane-3-carboxamide
• PubChem CID: 169196068
• Molecular Formula: C21H21ClFN7O2
• Molecular Weight: 457.90 g/mol
• Exact Mass: 457.14
• IUPAC Name: N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]oxolane-3-carboxamide
• SMILES: CC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CCOC4)nc3cn2)c2cn[nH]c12
• InChI: InChI=1S/C21H21ClFN7O2/c1-10(2)26-20-18(23)17(22)16(12-5-25-29-19(12)20)13-7-30-8-14(27-15(30)6-24-13)28-21(31)11-3-4-32-9-11/h5-8,10-11,26H,3-4,9H2,1-2H3,(H,25,29)(H,28,31)
• InChIKey: YSOODJQFMVIWAE-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 109.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.90
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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]oxolane-3-carboxamide?

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]oxolane-3-carboxamide (CID 169196068) is N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]oxolane-3-carboxamide.

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]oxolane-3-carboxamide?

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]oxolane-3-carboxamide is CC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)C4CCOC4)nc3cn2)c2cn[nH]c12.

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]oxolane-3-carboxamide?

The InChIKey is YSOODJQFMVIWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN7O2/c1-10(2)26-20-18(23)17(22)16(12-5-25-29-19(12)20)13-7-30-8-14(27-15(30)6-24-13)28-21(31)11-3-4-32-9-11/h5-8,10-11,26H,3-4,9H2,1-2H3,(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]oxolane-3-carboxamide?

N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]oxolane-3-carboxamide has a molecular weight of 457.90 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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]oxolane-3-carboxamide is sourced from PubChem (CID 169196068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).