acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine

C188H210BCl2I2N41O18 — CID 158596179

IUPACacetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine
SMILESCC(=O)N1CCC=C(c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(C)c5)c5ccccc45)nc(C)n23)C1.CC(=O)OC(C)=O.CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C)n4c(C5=CCCN(C(=O)OC(C)(C)C)C5)cnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C)n4c(C5=CCCNC5)cnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C)n4c(C5CCCNC5)cnc(N)c34)c3ccccc23)c1.Cc1nc(I)c2c(N)ncc(C3=CCCN(C(=O)OC(C)(C)C)C3)n12.Cc1ncc2c(Cl)ncc(C3=CCCN(C(=O)OC(C)(C)C)C3)n12.Cc1ncc2c(Cl)ncc(I)n12
InChIInChI=1S/C35H37N7O3.C32H31N7O2.C30H31N7O.C30H29N7O.C17H21ClN4O2.C17H22IN5O2.C16H28BNO4.C7H5ClIN3.C4H6O3/c1-21-10-8-12-24(18-21)39-33(43)40-28-16-15-27(25-13-6-7-14-26(25)28)30-31-32(36)37-19-29(42(31)22(2)38-30)23-11-9-17-41(20-23)34(44)45-35(3,4)5;1-19-8-6-10-23(16-19)36-32(41)37-27-14-13-26(24-11-4-5-12-25(24)27)29-30-31(33)34-17-28(39(30)20(2)35-29)22-9-7-15-38(18-22)21(3)40;2*1-18-7-5-9-21(15-18)35-30(38)36-25-13-12-24(22-10-3-4-11-23(22)25)27-28-29(31)33-17-26(37(28)19(2)34-27)20-8-6-14-32-16-20;1-11-19-9-14-15(18)20-8-13(22(11)14)12-6-5-7-21(10-12)16(23)24-17(2,3)4;1-10-21-14(18)13-15(19)20-8-12(23(10)13)11-6-5-7-22(9-11)16(24)25-17(2,3)4;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;1-4-10-2-5-7(8)11-3-6(9)12(4)5;1-3(5)7-4(2)6/h6-8,10-16,18-19H,9,17,20H2,1-5H3,(H2,36,37)(H2,39,40,43);4-6,8-14,16-17H,7,15,18H2,1-3H3,(H2,33,34)(H2,36,37,41);3-5,7,9-13,15,17,20,32H,6,8,14,16H2,1-2H3,(H2,31,33)(H2,35,36,38);3-5,7-13,15,17,32H,6,14,16H2,1-2H3,(H2,31,33)(H2,35,36,38);6,8-9H,5,7,10H2,1-4H3;6,8H,5,7,9H2,1-4H3,(H2,19,20);9H,8,10-11H2,1-7H3;2-3H,1H3;1-2H3
InChIKeyHVBALUQPCRHHPX-UHFFFAOYSA-N
MW3667.54 g/mol
LogP37.61
Rot. Bonds19

About acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine

acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine (PubChem CID 158596179) has the molecular formula C188H210BCl2I2N41O18 and a molecular weight of 3667.54 g/mol. Its IUPAC name is acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Nameacetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine
PubChem CID158596179
Molecular FormulaC188H210BCl2I2N41O18
Molecular Weight3667.54 g/mol
Exact Mass3664.43
IUPAC Nameacetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine
SMILESCC(=O)N1CCC=C(c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(C)c5)c5ccccc45)nc(C)n23)C1.CC(=O)OC(C)=O.CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C)n4c(C5=CCCN(C(=O)OC(C)(C)C)C5)cnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C)n4c(C5=CCCNC5)cnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C)n4c(C5CCCNC5)cnc(N)c34)c3ccccc23)c1.Cc1nc(I)c2c(N)ncc(C3=CCCN(C(=O)OC(C)(C)C)C3)n12.Cc1ncc2c(Cl)ncc(C3=CCCN(C(=O)OC(C)(C)C)C3)n12.Cc1ncc2c(Cl)ncc(I)n12
InChIInChI=1S/C35H37N7O3.C32H31N7O2.C30H31N7O.C30H29N7O.C17H21ClN4O2.C17H22IN5O2.C16H28BNO4.C7H5ClIN3.C4H6O3/c1-21-10-8-12-24(18-21)39-33(43)40-28-16-15-27(25-13-6-7-14-26(25)28)30-31-32(36)37-19-29(42(31)22(2)38-30)23-11-9-17-41(20-23)34(44)45-35(3,4)5;1-19-8-6-10-23(16-19)36-32(41)37-27-14-13-26(24-11-4-5-12-25(24)27)29-30-31(33)34-17-28(39(30)20(2)35-29)22-9-7-15-38(18-22)21(3)40;2*1-18-7-5-9-21(15-18)35-30(38)36-25-13-12-24(22-10-3-4-11-23(22)25)27-28-29(31)33-17-26(37(28)19(2)34-27)20-8-6-14-32-16-20;1-11-19-9-14-15(18)20-8-13(22(11)14)12-6-5-7-21(10-12)16(23)24-17(2,3)4;1-10-21-14(18)13-15(19)20-8-12(23(10)13)11-6-5-7-22(9-11)16(24)25-17(2,3)4;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;1-4-10-2-5-7(8)11-3-6(9)12(4)5;1-3(5)7-4(2)6/h6-8,10-16,18-19H,9,17,20H2,1-5H3,(H2,36,37)(H2,39,40,43);4-6,8-14,16-17H,7,15,18H2,1-3H3,(H2,33,34)(H2,36,37,41);3-5,7,9-13,15,17,20,32H,6,8,14,16H2,1-2H3,(H2,31,33)(H2,35,36,38);3-5,7-13,15,17,32H,6,14,16H2,1-2H3,(H2,31,33)(H2,35,36,38);6,8-9H,5,7,10H2,1-4H3;6,8H,5,7,9H2,1-4H3,(H2,19,20);9H,8,10-11H2,1-7H3;2-3H,1H3;1-2H3
InChIKeyHVBALUQPCRHHPX-UHFFFAOYSA-N
XLogP37.61
TPSA730.31 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds19
Heavy Atoms252
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003667.54
LogP ≤ 537.61
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine?
The IUPAC name of acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine (CID 158596179) is acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine.
What is the SMILES notation for acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine?
The canonical SMILES for acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine is CC(=O)N1CCC=C(c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(C)c5)c5ccccc45)nc(C)n23)C1.CC(=O)OC(C)=O.CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C)n4c(C5=CCCN(C(=O)OC(C)(C)C)C5)cnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C)n4c(C5=CCCNC5)cnc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3nc(C)n4c(C5CCCNC5)cnc(N)c34)c3ccccc23)c1.Cc1nc(I)c2c(N)ncc(C3=CCCN(C(=O)OC(C)(C)C)C3)n12.Cc1ncc2c(Cl)ncc(C3=CCCN(C(=O)OC(C)(C)C)C3)n12.Cc1ncc2c(Cl)ncc(I)n12.
What is the InChIKey of acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine?
The InChIKey is HVBALUQPCRHHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N7O3.C32H31N7O2.C30H31N7O.C30H29N7O.C17H21ClN4O2.C17H22IN5O2.C16H28BNO4.C7H5ClIN3.C4H6O3/c1-21-10-8-12-24(18-21)39-33(43)40-28-16-15-27(25-13-6-7-14-26(25)28)30-31-32(36)37-19-29(42(31)22(2)38-30)23-11-9-17-41(20-23)34(44)45-35(3,4)5;1-19-8-6-10-23(16-19)36-32(41)37-27-14-13-26(24-11-4-5-12-25(24)27)29-30-31(33)34-17-28(39(30)20(2)35-29)22-9-7-15-38(18-22)21(3)40;2*1-18-7-5-9-21(15-18)35-30(38)36-25-13-12-24(22-10-3-4-11-23(22)25)27-28-29(31)33-17-26(37(28)19(2)34-27)20-8-6-14-32-16-20;1-11-19-9-14-15(18)20-8-13(22(11)14)12-6-5-7-21(10-12)16(23)24-17(2,3)4;1-10-21-14(18)13-15(19)20-8-12(23(10)13)11-6-5-7-22(9-11)16(24)25-17(2,3)4;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;1-4-10-2-5-7(8)11-3-6(9)12(4)5;1-3(5)7-4(2)6/h6-8,10-16,18-19H,9,17,20H2,1-5H3,(H2,36,37)(H2,39,40,43);4-6,8-14,16-17H,7,15,18H2,1-3H3,(H2,33,34)(H2,36,37,41);3-5,7,9-13,15,17,20,32H,6,8,14,16H2,1-2H3,(H2,31,33)(H2,35,36,38);3-5,7-13,15,17,32H,6,14,16H2,1-2H3,(H2,31,33)(H2,35,36,38);6,8-9H,5,7,10H2,1-4H3;6,8H,5,7,9H2,1-4H3,(H2,19,20);9H,8,10-11H2,1-7H3;2-3H,1H3;1-2H3.
What are the key properties of acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine?
acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine has a molecular weight of 3667.54 g/mol, XLogP of 37.61, 19 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 158596179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).