N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid

C16H20F3N5O3S — CID 155833441

IUPACN,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ncsc1CN1Cc2cncn2C(C(=O)N(C)C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N5OS.C2HF3O2/c1-10-13(21-9-16-10)7-18-5-11-4-15-8-19(11)12(6-18)14(20)17(2)3;3-2(4,5)1(6)7/h4,8-9,12H,5-7H2,1-3H3;(H,6,7)
InChIKeyJPJKHTAXWSHKAL-UHFFFAOYSA-N
MW419.43 g/mol
LogP1.93
Rot. Bonds3

About N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155833441) has the molecular formula C16H20F3N5O3S and a molecular weight of 419.43 g/mol. Its IUPAC name is N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155833441
Molecular FormulaC16H20F3N5O3S
Molecular Weight419.43 g/mol
Exact Mass419.12
IUPAC NameN,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ncsc1CN1Cc2cncn2C(C(=O)N(C)C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N5OS.C2HF3O2/c1-10-13(21-9-16-10)7-18-5-11-4-15-8-19(11)12(6-18)14(20)17(2)3;3-2(4,5)1(6)7/h4,8-9,12H,5-7H2,1-3H3;(H,6,7)
InChIKeyJPJKHTAXWSHKAL-UHFFFAOYSA-N
XLogP1.93
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743113
(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 118745940
N,N-dimethyl-2-[7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155824749
N-ethyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155825247
N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 155829515
N-methyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155830766
N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 155830835
N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155835456
[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155836501
N-[[7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155837657
N-[2-[7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155839183
N,N-dimethyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155839589

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid (CID 155833441) is N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid is Cc1ncsc1CN1Cc2cncn2C(C(=O)N(C)C)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JPJKHTAXWSHKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS.C2HF3O2/c1-10-13(21-9-16-10)7-18-5-11-4-15-8-19(11)12(6-18)14(20)17(2)3;3-2(4,5)1(6)7/h4,8-9,12H,5-7H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 419.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).