2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate

C67H72F14N20O9 — CID 159917322

IUPAC2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCOC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2.CCOC(=O)c1ncn2c1CNCC2.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2)C(F)(F)F.Nc1ccnc(C(F)F)c1
InChIInChI=1S/2C18H18F5N5O2.C16H17F2N5O3.C9H13N3O2.C6H6F2N2/c2*1-10(18(21,22)23)6-14(29)15-13-8-27(4-5-28(13)9-25-15)17(30)26-11-2-3-24-12(7-11)16(19)20;1-2-26-15(24)13-12-8-22(5-6-23(12)9-20-13)16(25)21-10-3-4-19-11(7-10)14(17)18;1-2-14-9(13)8-7-5-10-3-4-12(7)6-11-8;7-6(8)5-3-4(9)1-2-10-5/h2*2-3,7,9-10,16H,4-6,8H2,1H3,(H,24,26,30);3-4,7,9,14H,2,5-6,8H2,1H3,(H,19,21,25);6,10H,2-5H2,1H3;1-3,6H,(H2,9,10)/t2*10-;;;/m00.../s1
InChIKeyNXYHKYFKIMUTJX-NGQGLHOPSA-N
MW1567.42 g/mol
LogP12.27
Rot. Bonds17

About 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate

2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 159917322) has the molecular formula C67H72F14N20O9 and a molecular weight of 1567.42 g/mol. Its IUPAC name is 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Name2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID159917322
Molecular FormulaC67H72F14N20O9
Molecular Weight1567.42 g/mol
Exact Mass1566.56
IUPAC Name2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
SMILESCCOC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2.CCOC(=O)c1ncn2c1CNCC2.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2)C(F)(F)F.Nc1ccnc(C(F)F)c1
InChIInChI=1S/2C18H18F5N5O2.C16H17F2N5O3.C9H13N3O2.C6H6F2N2/c2*1-10(18(21,22)23)6-14(29)15-13-8-27(4-5-28(13)9-25-15)17(30)26-11-2-3-24-12(7-11)16(19)20;1-2-26-15(24)13-12-8-22(5-6-23(12)9-20-13)16(25)21-10-3-4-19-11(7-10)14(17)18;1-2-14-9(13)8-7-5-10-3-4-12(7)6-11-8;7-6(8)5-3-4(9)1-2-10-5/h2*2-3,7,9-10,16H,4-6,8H2,1H3,(H,24,26,30);3-4,7,9,14H,2,5-6,8H2,1H3,(H,19,21,25);6,10H,2-5H2,1H3;1-3,6H,(H2,9,10)/t2*10-;;;/m00.../s1
InChIKeyNXYHKYFKIMUTJX-NGQGLHOPSA-N
XLogP12.27
TPSA344.65 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.42
LogP ≤ 512.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate with MolForge

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Related Compounds

7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;7,8-dideuterio-6-methyl-2-(trideuteriomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;[4-(trifluoromethyl)phenyl]methanamine
CID 157389156
(6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;bis((6S)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-7-[(3-cyano-4-fluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 157543367
(3R)-1-[1-acetyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;hydrochloride
CID 157634134
1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride
CID 158225922
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone
CID 159677470
5-amino-2-fluorobenzonitrile;7-O-tert-butyl 1-O-methyl 6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;N-(3-cyano-4-fluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-(3-cyano-4-fluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;2,2,2-trifluoroacetic acid;(3S)-4,4,4-trifluoro-3-methyl-1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one
CID 160716475
2-tert-butyl-5-(3-methylimidazol-4-yl)pyridine;7-(6-tert-butylpyridazin-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]butan-2-one;1-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-4-methylpentan-2-one;2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-1-morpholin-4-ylethanone;2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;3-[(6-tert-butyl-3-pyridinyl)methyl]-5-methylimidazole-4-carboxylic acid;2-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]acetonitrile;1-(6-tert-butyl-3-pyridinyl)-4-(2-oxobutyl)piperazin-2-one;2-[4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazin-1-yl]-N,N-dimethylacetamide;3-tert-butyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
CID 160851621
7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;7,8-dideuterio-6-methyl-2-(trideuteriomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 2-chloro-3-oxobutanoate;ethyl 7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;5-methylpyridin-2-amine;[4-(trifluoromethyl)phenyl]methanamine
CID 161074710
bis(N-(3,4-difluorophenyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[(3,4-difluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
CID 161433540
2-cyclopropyl-N-[1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide;N-[2-(1,1-difluoroethoxy)ethyl]-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;4-fluoro-1-[1-[(5-fluoro-2,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrrolo[3,2-b]pyridin-3-yl]butan-1-one;1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 161728008
CID 157338032
CID 157338032
CID 157632138
CID 157632138

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate (CID 159917322) is 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate is CCOC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2.CCOC(=O)c1ncn2c1CNCC2.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2)C(F)(F)F.Nc1ccnc(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is NXYHKYFKIMUTJX-NGQGLHOPSA-N. The full InChI is InChI=1S/2C18H18F5N5O2.C16H17F2N5O3.C9H13N3O2.C6H6F2N2/c2*1-10(18(21,22)23)6-14(29)15-13-8-27(4-5-28(13)9-25-15)17(30)26-11-2-3-24-12(7-11)16(19)20;1-2-26-15(24)13-12-8-22(5-6-23(12)9-20-13)16(25)21-10-3-4-19-11(7-10)14(17)18;1-2-14-9(13)8-7-5-10-3-4-12(7)6-11-8;7-6(8)5-3-4(9)1-2-10-5/h2*2-3,7,9-10,16H,4-6,8H2,1H3,(H,24,26,30);3-4,7,9,14H,2,5-6,8H2,1H3,(H,19,21,25);6,10H,2-5H2,1H3;1-3,6H,(H2,9,10)/t2*10-;;;/m00.../s1.
What are the key properties of 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate?
2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 1567.42 g/mol, XLogP of 12.27, 17 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)pyridin-4-amine;bis(N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);ethyl 7-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 159917322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).