[2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone

C25H30F2N6O2 — CID 138561656

IUPAC[2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(C3CC3C(=O)N3CCN(C)CC3)cn12
InChIInChI=1S/C25H30F2N6O2/c1-14-4-5-15(25(2,35)24(26)27)10-16(14)20-12-29-22-21(28)30-19(13-33(20)22)17-11-18(17)23(34)32-8-6-31(3)7-9-32/h4-5,10,12-13,17-18,24,35H,6-9,11H2,1-3H3,(H2,28,30)
InChIKeyLCHWMSVZZWVEMC-UHFFFAOYSA-N
MW484.55 g/mol
LogP2.64
Rot. Bonds5

About [2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone

[2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 138561656) has the molecular formula C25H30F2N6O2 and a molecular weight of 484.55 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]cyclopropyl]-(4-methylpiperazin-1-yl)methanone.

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]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID138561656
Molecular FormulaC25H30F2N6O2
Molecular Weight484.55 g/mol
Exact Mass484.24
IUPAC Name[2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(C3CC3C(=O)N3CCN(C)CC3)cn12
InChIInChI=1S/C25H30F2N6O2/c1-14-4-5-15(25(2,35)24(26)27)10-16(14)20-12-29-22-21(28)30-19(13-33(20)22)17-11-18(17)23(34)32-8-6-31(3)7-9-32/h4-5,10,12-13,17-18,24,35H,6-9,11H2,1-3H3,(H2,28,30)
InChIKeyLCHWMSVZZWVEMC-UHFFFAOYSA-N
XLogP2.64
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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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]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
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]cyclopropyl]-(4-methylpiperazin-1-yl)methanone (CID 138561656) is [2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone.
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]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
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]cyclopropyl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(C3CC3C(=O)N3CCN(C)CC3)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]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LCHWMSVZZWVEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N6O2/c1-14-4-5-15(25(2,35)24(26)27)10-16(14)20-12-29-22-21(28)30-19(13-33(20)22)17-11-18(17)23(34)32-8-6-31(3)7-9-32/h4-5,10,12-13,17-18,24,35H,6-9,11H2,1-3H3,(H2,28,30).
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]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
[2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 484.55 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 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]cyclopropyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 138561656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).