2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide

C24H29F2N5O3 — CID 138561575

About 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide

2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 138561575) has the molecular formula C24H29F2N5O3 and a molecular weight of 473.52 g/mol. Its IUPAC name is 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 138561575
• Molecular Formula: C24H29F2N5O3
• Molecular Weight: 473.52 g/mol
• Exact Mass: 473.22
• IUPAC Name: 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(C3CC3C(=O)NC(C)(C)CO)cn12
• InChI: InChI=1S/C24H29F2N5O3/c1-12-5-6-13(24(4,34)22(25)26)7-14(12)18-9-28-20-19(27)29-17(10-31(18)20)15-8-16(15)21(33)30-23(2,3)11-32/h5-7,9-10,15-16,22,32,34H,8,11H2,1-4H3,(H2,27,29)(H,30,33)
• InChIKey: JWUNOCLBEFKXRD-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 125.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.52
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide (CID 138561575) is 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide is Cc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(C3CC3C(=O)NC(C)(C)CO)cn12.

What is the InChIKey of 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide?

The InChIKey is JWUNOCLBEFKXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O3/c1-12-5-6-13(24(4,34)22(25)26)7-14(12)18-9-28-20-19(27)29-17(10-31(18)20)15-8-16(15)21(33)30-23(2,3)11-32/h5-7,9-10,15-16,22,32,34H,8,11H2,1-4H3,(H2,27,29)(H,30,33).

What are the key properties of 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide?

2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 473.52 g/mol, XLogP of 2.75, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138561575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).