5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C100H124BBr4N15O20 — CID 158585025

IUPAC5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1cccc2c1ccn2C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(N2CCOCC2)nc1-c1cccc2c1ccn2C(=O)OC(C)(C)C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)OB(c2cccc3c2C=CC3)OC1(C)C.Nc1ncc(Br)nc1-c1cccc2c1C=CC2.Nc1ncc(Br)nc1Br
InChIInChI=1S/C31H41N5O7.C27H33BrN4O6.C15H19BO2.C13H10BrN3.C10H18O5.C4H3Br2N3/c1-29(2,3)41-26(37)35-14-13-20-21(11-10-12-22(20)35)24-25(32-19-23(33-24)34-15-17-40-18-16-34)36(27(38)42-30(4,5)6)28(39)43-31(7,8)9;1-25(2,3)36-22(33)31-14-13-16-17(11-10-12-18(16)31)20-21(29-15-19(28)30-20)32(23(34)37-26(4,5)6)24(35)38-27(7,8)9;1-14(2)15(3,4)18-16(17-14)13-10-6-8-11-7-5-9-12(11)13;14-11-7-16-13(15)12(17-11)10-6-2-4-8-3-1-5-9(8)10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;5-2-1-8-4(7)3(6)9-2/h10-14,19H,15-18H2,1-9H3;10-15H,1-9H3;5-6,8-10H,7H2,1-4H3;1-2,4-7H,3H2,(H2,15,16);1-6H3;1H,(H2,7,8)
InChIKeyHTSJTGMCMWAVKT-UHFFFAOYSA-N
MW2186.60 g/mol
LogP23.78
Rot. Bonds7

About 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158585025) has the molecular formula C100H124BBr4N15O20 and a molecular weight of 2186.60 g/mol. Its IUPAC name is 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID158585025
Molecular FormulaC100H124BBr4N15O20
Molecular Weight2186.60 g/mol
Exact Mass2181.60
IUPAC Name5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1cccc2c1ccn2C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(N2CCOCC2)nc1-c1cccc2c1ccn2C(=O)OC(C)(C)C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)OB(c2cccc3c2C=CC3)OC1(C)C.Nc1ncc(Br)nc1-c1cccc2c1C=CC2.Nc1ncc(Br)nc1Br
InChIInChI=1S/C31H41N5O7.C27H33BrN4O6.C15H19BO2.C13H10BrN3.C10H18O5.C4H3Br2N3/c1-29(2,3)41-26(37)35-14-13-20-21(11-10-12-22(20)35)24-25(32-19-23(33-24)34-15-17-40-18-16-34)36(27(38)42-30(4,5)6)28(39)43-31(7,8)9;1-25(2,3)36-22(33)31-14-13-16-17(11-10-12-18(16)31)20-21(29-15-19(28)30-20)32(23(34)37-26(4,5)6)24(35)38-27(7,8)9;1-14(2)15(3,4)18-16(17-14)13-10-6-8-11-7-5-9-12(11)13;14-11-7-16-13(15)12(17-11)10-6-2-4-8-3-1-5-9(8)10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;5-2-1-8-4(7)3(6)9-2/h10-14,19H,15-18H2,1-9H3;10-15H,1-9H3;5-6,8-10H,7H2,1-4H3;1-2,4-7H,3H2,(H2,15,16);1-6H3;1H,(H2,7,8)
InChIKeyHTSJTGMCMWAVKT-UHFFFAOYSA-N
XLogP23.78
TPSA422.06 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds7
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002186.60
LogP ≤ 523.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

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'}

Analyze 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine;tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(3-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 158084541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158585025) is 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1cccc2c1ccn2C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(N2CCOCC2)nc1-c1cccc2c1ccn2C(=O)OC(C)(C)C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)OB(c2cccc3c2C=CC3)OC1(C)C.Nc1ncc(Br)nc1-c1cccc2c1C=CC2.Nc1ncc(Br)nc1Br.
What is the InChIKey of 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HTSJTGMCMWAVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O7.C27H33BrN4O6.C15H19BO2.C13H10BrN3.C10H18O5.C4H3Br2N3/c1-29(2,3)41-26(37)35-14-13-20-21(11-10-12-22(20)35)24-25(32-19-23(33-24)34-15-17-40-18-16-34)36(27(38)42-30(4,5)6)28(39)43-31(7,8)9;1-25(2,3)36-22(33)31-14-13-16-17(11-10-12-18(16)31)20-21(29-15-19(28)30-20)32(23(34)37-26(4,5)6)24(35)38-27(7,8)9;1-14(2)15(3,4)18-16(17-14)13-10-6-8-11-7-5-9-12(11)13;14-11-7-16-13(15)12(17-11)10-6-2-4-8-3-1-5-9(8)10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;5-2-1-8-4(7)3(6)9-2/h10-14,19H,15-18H2,1-9H3;10-15H,1-9H3;5-6,8-10H,7H2,1-4H3;1-2,4-7H,3H2,(H2,15,16);1-6H3;1H,(H2,7,8).
What are the key properties of 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2186.60 g/mol, XLogP of 23.78, 7 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1H-inden-4-yl)pyrazin-2-amine;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]indole-1-carboxylate;tert-butyl 4-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpyrazin-2-yl]indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3,5-dibromopyrazin-2-amine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158585025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).