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

C21H23F2N5O2 — CID 138561482

IUPAC2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1CC1c1cn2c(-c3cc(C(C)(O)C(F)F)ccc3C)cnc2c(N)n1
InChIInChI=1S/C21H23F2N5O2/c1-10-4-5-11(21(2,30)20(22)23)6-12(10)16-8-26-18-17(24)27-15(9-28(16)18)13-7-14(13)19(29)25-3/h4-6,8-9,13-14,20,30H,7H2,1-3H3,(H2,24,27)(H,25,29)
InChIKeyURIZKMRERIRMGN-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.61
Rot. Bonds5

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

2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-methylcyclopropane-1-carboxamide (PubChem CID 138561482) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.44 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-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-methylcyclopropane-1-carboxamide
PubChem CID138561482
Molecular FormulaC21H23F2N5O2
Molecular Weight415.44 g/mol
Exact Mass415.18
IUPAC Name2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)C1CC1c1cn2c(-c3cc(C(C)(O)C(F)F)ccc3C)cnc2c(N)n1
InChIInChI=1S/C21H23F2N5O2/c1-10-4-5-11(21(2,30)20(22)23)6-12(10)16-8-26-18-17(24)27-15(9-28(16)18)13-7-14(13)19(29)25-3/h4-6,8-9,13-14,20,30H,7H2,1-3H3,(H2,24,27)(H,25,29)
InChIKeyURIZKMRERIRMGN-UHFFFAOYSA-N
XLogP2.61
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-methylcyclopropane-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-methylcyclopropane-1-carboxamide (CID 138561482) is 2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-methylcyclopropane-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-methylcyclopropane-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-methylcyclopropane-1-carboxamide is CNC(=O)C1CC1c1cn2c(-c3cc(C(C)(O)C(F)F)ccc3C)cnc2c(N)n1.
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-methylcyclopropane-1-carboxamide?
The InChIKey is URIZKMRERIRMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c1-10-4-5-11(21(2,30)20(22)23)6-12(10)16-8-26-18-17(24)27-15(9-28(16)18)13-7-14(13)19(29)25-3/h4-6,8-9,13-14,20,30H,7H2,1-3H3,(H2,24,27)(H,25,29).
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-methylcyclopropane-1-carboxamide?
2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 138561482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).