bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide

C155H205F6N33O17 — CID 157486193

IUPACbis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCCCOC1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ncn2c(C)cc(COC)nc12.CCCCOC1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ncn2c(C)cc(COC)nc12.CCCCOC1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ncn2c(COC)cc(C)nc12.Cc1cc(C)n2cnc(C(=O)NC3[C@@H]4CC[C@H]3CC(OC(C)(C)C)C4)c2n1.Cc1cc(C)n2cnc(C(=O)NC3[C@@H]4CC[C@H]3CC(OC(C)(C)C)C4)c2n1.Cc1cc(C)n2cnc(C(=O)N[C@H](C)C3CC3)c2n1.Cc1cc(COC(F)(F)F)nc2c(C(=O)NC(C)C3CC3)ncn12.[C-]#[N+]c1cc(C)n2cnc(C(=O)NC(c3ccc(C)cc3)C(F)(F)F)c2n1
InChIInChI=1S/3C22H32N4O3.2C21H30N4O2.C18H14F3N5O.C15H17F3N4O2.C14H18N4O/c2*1-4-5-8-29-18-10-15-6-7-16(11-18)19(15)25-22(27)20-21-24-17(12-28-3)9-14(2)26(21)13-23-20;1-4-5-8-29-18-10-15-6-7-16(11-18)19(15)25-22(27)20-21-24-14(2)9-17(12-28-3)26(21)13-23-20;2*1-12-8-13(2)25-11-22-18(19(25)23-12)20(26)24-17-14-6-7-15(17)10-16(9-14)27-21(3,4)5;1-10-4-6-12(7-5-10)15(18(19,20)21)25-17(27)14-16-24-13(22-3)8-11(2)26(16)9-23-14;1-8-5-11(6-24-15(16,17)18)21-13-12(19-7-22(8)13)14(23)20-9(2)10-3-4-10;1-8-6-9(2)18-7-15-12(13(18)16-8)14(19)17-10(3)11-4-5-11/h3*9,13,15-16,18-19H,4-8,10-12H2,1-3H3,(H,25,27);2*8,11,14-17H,6-7,9-10H2,1-5H3,(H,24,26);4-9,15H,1-2H3,(H,25,27);5,7,9-10H,3-4,6H2,1-2H3,(H,20,23);6-7,10-11H,4-5H2,1-3H3,(H,17,19)/t3*15-,16+,18?,19?;2*14-,15+,16?,17?;;;10-/m.......1/s1
InChIKeyBWSWSEQSQHCNKS-FGCDVDSJSA-N
MW2916.55 g/mol
LogP25.17
Rot. Bonds41

About bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide

bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 157486193) has the molecular formula C155H205F6N33O17 and a molecular weight of 2916.55 g/mol. Its IUPAC name is bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Namebis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID157486193
Molecular FormulaC155H205F6N33O17
Molecular Weight2916.55 g/mol
Exact Mass2914.61
IUPAC Namebis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCCCOC1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ncn2c(C)cc(COC)nc12.CCCCOC1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ncn2c(C)cc(COC)nc12.CCCCOC1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ncn2c(COC)cc(C)nc12.Cc1cc(C)n2cnc(C(=O)NC3[C@@H]4CC[C@H]3CC(OC(C)(C)C)C4)c2n1.Cc1cc(C)n2cnc(C(=O)NC3[C@@H]4CC[C@H]3CC(OC(C)(C)C)C4)c2n1.Cc1cc(C)n2cnc(C(=O)N[C@H](C)C3CC3)c2n1.Cc1cc(COC(F)(F)F)nc2c(C(=O)NC(C)C3CC3)ncn12.[C-]#[N+]c1cc(C)n2cnc(C(=O)NC(c3ccc(C)cc3)C(F)(F)F)c2n1
InChIInChI=1S/3C22H32N4O3.2C21H30N4O2.C18H14F3N5O.C15H17F3N4O2.C14H18N4O/c2*1-4-5-8-29-18-10-15-6-7-16(11-18)19(15)25-22(27)20-21-24-17(12-28-3)9-14(2)26(21)13-23-20;1-4-5-8-29-18-10-15-6-7-16(11-18)19(15)25-22(27)20-21-24-14(2)9-17(12-28-3)26(21)13-23-20;2*1-12-8-13(2)25-11-22-18(19(25)23-12)20(26)24-17-14-6-7-15(17)10-16(9-14)27-21(3,4)5;1-10-4-6-12(7-5-10)15(18(19,20)21)25-17(27)14-16-24-13(22-3)8-11(2)26(16)9-23-14;1-8-5-11(6-24-15(16,17)18)21-13-12(19-7-22(8)13)14(23)20-9(2)10-3-4-10;1-8-6-9(2)18-7-15-12(13(18)16-8)14(19)17-10(3)11-4-5-11/h3*9,13,15-16,18-19H,4-8,10-12H2,1-3H3,(H,25,27);2*8,11,14-17H,6-7,9-10H2,1-5H3,(H,24,26);4-9,15H,1-2H3,(H,25,27);5,7,9-10H,3-4,6H2,1-2H3,(H,20,23);6-7,10-11H,4-5H2,1-3H3,(H,17,19)/t3*15-,16+,18?,19?;2*14-,15+,16?,17?;;;10-/m.......1/s1
InChIKeyBWSWSEQSQHCNKS-FGCDVDSJSA-N
XLogP25.17
TPSA561.75 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds41
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002916.55
LogP ≤ 525.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-2-(2,5-difluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-2-(3,3-difluoropiperidin-1-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-2-(4,4-difluoropiperidin-1-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(3-fluorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 161129871
N-[(1S)-1-cyclopropylethyl]-4-ethyl-2-(4-fluorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methoxyimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-4-(4-fluorophenyl)-2-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-3-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(4-fluorophenyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-[1-(4-methylphenyl)propyl]-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 161119261

Frequently Asked Questions

What is the IUPAC name of bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 157486193) is bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide is CCCCOC1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ncn2c(C)cc(COC)nc12.CCCCOC1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ncn2c(C)cc(COC)nc12.CCCCOC1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ncn2c(COC)cc(C)nc12.Cc1cc(C)n2cnc(C(=O)NC3[C@@H]4CC[C@H]3CC(OC(C)(C)C)C4)c2n1.Cc1cc(C)n2cnc(C(=O)NC3[C@@H]4CC[C@H]3CC(OC(C)(C)C)C4)c2n1.Cc1cc(C)n2cnc(C(=O)N[C@H](C)C3CC3)c2n1.Cc1cc(COC(F)(F)F)nc2c(C(=O)NC(C)C3CC3)ncn12.[C-]#[N+]c1cc(C)n2cnc(C(=O)NC(c3ccc(C)cc3)C(F)(F)F)c2n1.
What is the InChIKey of bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is BWSWSEQSQHCNKS-FGCDVDSJSA-N. The full InChI is InChI=1S/3C22H32N4O3.2C21H30N4O2.C18H14F3N5O.C15H17F3N4O2.C14H18N4O/c2*1-4-5-8-29-18-10-15-6-7-16(11-18)19(15)25-22(27)20-21-24-17(12-28-3)9-14(2)26(21)13-23-20;1-4-5-8-29-18-10-15-6-7-16(11-18)19(15)25-22(27)20-21-24-14(2)9-17(12-28-3)26(21)13-23-20;2*1-12-8-13(2)25-11-22-18(19(25)23-12)20(26)24-17-14-6-7-15(17)10-16(9-14)27-21(3,4)5;1-10-4-6-12(7-5-10)15(18(19,20)21)25-17(27)14-16-24-13(22-3)8-11(2)26(16)9-23-14;1-8-5-11(6-24-15(16,17)18)21-13-12(19-7-22(8)13)14(23)20-9(2)10-3-4-10;1-8-6-9(2)18-7-15-12(13(18)16-8)14(19)17-10(3)11-4-5-11/h3*9,13,15-16,18-19H,4-8,10-12H2,1-3H3,(H,25,27);2*8,11,14-17H,6-7,9-10H2,1-5H3,(H,24,26);4-9,15H,1-2H3,(H,25,27);5,7,9-10H,3-4,6H2,1-2H3,(H,20,23);6-7,10-11H,4-5H2,1-3H3,(H,17,19)/t3*15-,16+,18?,19?;2*14-,15+,16?,17?;;;10-/m.......1/s1.
What are the key properties of bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 2916.55 g/mol, XLogP of 25.17, 41 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-2-(methoxymethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide);N-[(1S,5R)-3-butoxy-8-bicyclo[3.2.1]octanyl]-4-(methoxymethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropylethyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-(trifluoromethoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;bis(2,4-dimethyl-N-[(1S,5R)-3-[(2-methylpropan-2-yl)oxy]-8-bicyclo[3.2.1]octanyl]imidazo[1,5-a]pyrimidine-8-carboxamide);2-isocyano-4-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 157486193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).