2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one

C22H20F3N5O — CID 168822673

IUPAC2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one
SMILESCc1cc(Nc2nccn3c(C4=CCN=C4C(F)(F)F)cnc23)ccc1C(=O)C(C)C
InChIInChI=1S/C22H20F3N5O/c1-12(2)18(31)15-5-4-14(10-13(15)3)29-20-21-28-11-17(30(21)9-8-27-20)16-6-7-26-19(16)22(23,24)25/h4-6,8-12H,7H2,1-3H3,(H,27,29)
InChIKeyCHYXSOIDKIWVDP-UHFFFAOYSA-N
MW427.43 g/mol
LogP5.02
Rot. Bonds5

About 2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one

2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one (PubChem CID 168822673) has the molecular formula C22H20F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one
PubChem CID168822673
Molecular FormulaC22H20F3N5O
Molecular Weight427.43 g/mol
Exact Mass427.16
IUPAC Name2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one
SMILESCc1cc(Nc2nccn3c(C4=CCN=C4C(F)(F)F)cnc23)ccc1C(=O)C(C)C
InChIInChI=1S/C22H20F3N5O/c1-12(2)18(31)15-5-4-14(10-13(15)3)29-20-21-28-11-17(30(21)9-8-27-20)16-6-7-26-19(16)22(23,24)25/h4-6,8-12H,7H2,1-3H3,(H,27,29)
InChIKeyCHYXSOIDKIWVDP-UHFFFAOYSA-N
XLogP5.02
TPSA71.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]decane-1,7-dione
CID 168822483
2-[(1S,3S)-3-methylcyclopentyl]-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]ethanone
CID 168822602
2-methyl-N-[3-(3-methylcyclobutyl)-2-oxopropyl]-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 168822239
(3S)-1-[2-ethyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]-3-methylpentan-1-one
CID 168822727
1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one
CID 168822234
1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]hexan-1-one
CID 168822678
2,6-dimethyl-N-prop-2-ynyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzamide
CID 168822729
(4-ethylcyclohexyl)-[2-ethyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]methanone
CID 168822465
4-[4-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazine-1-carbonyl]benzoic acid
CID 150447252
N-(1,3-dihydroxypropan-2-yl)-4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide
CID 154943189
3-cyclobutyl-1-[4-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]propan-1-one
CID 168822790
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoic acid;methyl 4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoate
CID 175887967

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one (CID 168822673) is 2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one is Cc1cc(Nc2nccn3c(C4=CCN=C4C(F)(F)F)cnc23)ccc1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one?
The InChIKey is CHYXSOIDKIWVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O/c1-12(2)18(31)15-5-4-14(10-13(15)3)29-20-21-28-11-17(30(21)9-8-27-20)16-6-7-26-19(16)22(23,24)25/h4-6,8-12H,7H2,1-3H3,(H,27,29).
What are the key properties of 2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one?
2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one has a molecular weight of 427.43 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-4-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]propan-1-one is sourced from PubChem (CID 168822673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).