1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea

C142H154BBr3N24O10 — CID 157163396

About 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea

1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea (PubChem CID 157163396) has the molecular formula C142H154BBr3N24O10 and a molecular weight of 2607.48 g/mol. Its IUPAC name is 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea.

Molecular Properties

• Compound Name: 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea
• PubChem CID: 157163396
• Molecular Formula: C142H154BBr3N24O10
• Molecular Weight: 2607.48 g/mol
• Exact Mass: 2602.99
• IUPAC Name: 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea
• SMILES: CC(C)c1nc(-c2ccc(NC(=O)Nc3ccccc3)c3ccccc23)c2c(N)ncc(C3=CCC(N(C)C(=O)OC(C)(C)C)CC3)n12.CC(C)c1nc(Br)c2c(N)ncc(C3=CCC(N(C)C(=O)OC(C)(C)C)CC3)n12.CC1(C)OB(c2ccc(NC(=O)Nc3ccccc3)c3ccccc23)OC1(C)C.CNC1CC=C(c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccccc5)c5ccccc45)nc(C(C)C)n23)CC1.Nc1ccc(Br)c2ccccc12.O=C(Nc1ccccc1)Nc1ccc(Br)c2ccccc12
• InChI: InChI=1S/C38H43N7O3.C33H35N7O.C23H25BN2O3.C21H30BrN5O2.C17H13BrN2O.C10H8BrN/c1-23(2)35-43-32(29-20-21-30(28-15-11-10-14-27(28)29)42-36(46)41-25-12-8-7-9-13-25)33-34(39)40-22-31(45(33)35)24-16-18-26(19-17-24)44(6)37(47)48-38(3,4)5;1-20(2)32-39-29(30-31(34)36-19-28(40(30)32)21-13-15-22(35-3)16-14-21)26-17-18-27(25-12-8-7-11-24(25)26)38-33(41)37-23-9-5-4-6-10-23;1-22(2)23(3,4)29-24(28-22)19-14-15-20(18-13-9-8-12-17(18)19)26-21(27)25-16-10-6-5-7-11-16;1-12(2)19-25-17(22)16-18(23)24-11-15(27(16)19)13-7-9-14(10-8-13)26(6)20(28)29-21(3,4)5;18-15-10-11-16(14-9-5-4-8-13(14)15)20-17(21)19-12-6-2-1-3-7-12;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-16,20-23,26H,17-19H2,1-6H3,(H2,39,40)(H2,41,42,46);4-13,17-20,22,35H,14-16H2,1-3H3,(H2,34,36)(H2,37,38,41);5-15H,1-4H3,(H2,25,26,27);7,11-12,14H,8-10H2,1-6H3,(H2,23,24);1-11H,(H2,19,20,21);1-6H,12H2
• InChIKey: AMQBLNHVNLJXLB-UHFFFAOYSA-N
• XLogP: 33.97
• TPSA: 448.74 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2607.48
LogP ≤ 5	33.97
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea?

The IUPAC name of 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea (CID 157163396) is 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea.

What is the SMILES notation for 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea?

The canonical SMILES for 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea is CC(C)c1nc(-c2ccc(NC(=O)Nc3ccccc3)c3ccccc23)c2c(N)ncc(C3=CCC(N(C)C(=O)OC(C)(C)C)CC3)n12.CC(C)c1nc(Br)c2c(N)ncc(C3=CCC(N(C)C(=O)OC(C)(C)C)CC3)n12.CC1(C)OB(c2ccc(NC(=O)Nc3ccccc3)c3ccccc23)OC1(C)C.CNC1CC=C(c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccccc5)c5ccccc45)nc(C(C)C)n23)CC1.Nc1ccc(Br)c2ccccc12.O=C(Nc1ccccc1)Nc1ccc(Br)c2ccccc12.

What is the InChIKey of 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea?

The InChIKey is AMQBLNHVNLJXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N7O3.C33H35N7O.C23H25BN2O3.C21H30BrN5O2.C17H13BrN2O.C10H8BrN/c1-23(2)35-43-32(29-20-21-30(28-15-11-10-14-27(28)29)42-36(46)41-25-12-8-7-9-13-25)33-34(39)40-22-31(45(33)35)24-16-18-26(19-17-24)44(6)37(47)48-38(3,4)5;1-20(2)32-39-29(30-31(34)36-19-28(40(30)32)21-13-15-22(35-3)16-14-21)26-17-18-27(25-12-8-7-11-24(25)26)38-33(41)37-23-9-5-4-6-10-23;1-22(2)23(3,4)29-24(28-22)19-14-15-20(18-13-9-8-12-17(18)19)26-21(27)25-16-10-6-5-7-11-16;1-12(2)19-25-17(22)16-18(23)24-11-15(27(16)19)13-7-9-14(10-8-13)26(6)20(28)29-21(3,4)5;18-15-10-11-16(14-9-5-4-8-13(14)15)20-17(21)19-12-6-2-1-3-7-12;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h7-16,20-23,26H,17-19H2,1-6H3,(H2,39,40)(H2,41,42,46);4-13,17-20,22,35H,14-16H2,1-3H3,(H2,34,36)(H2,37,38,41);5-15H,1-4H3,(H2,25,26,27);7,11-12,14H,8-10H2,1-6H3,(H2,23,24);1-11H,(H2,19,20,21);1-6H,12H2.

What are the key properties of 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea?

1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea has a molecular weight of 2607.48 g/mol, XLogP of 33.97, 20 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[8-amino-5-[4-(methylamino)cyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-phenylurea;4-bromonaphthalen-1-amine;1-(4-bromonaphthalen-1-yl)-3-phenylurea;tert-butyl N-[4-(8-amino-1-bromo-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl)cyclohex-3-en-1-yl]-N-methylcarbamate;tert-butyl N-[4-[8-amino-1-[4-(phenylcarbamoylamino)naphthalen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohex-3-en-1-yl]-N-methylcarbamate;1-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]urea is sourced from PubChem (CID 157163396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).