3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C93H113BBrN21O8 — CID 167684794

IUPAC3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.Cc1cc(-c2ncc(CNc3nccn4c(Br)cnc34)cc2C)ccn1.Cc1cc(-c2ncc(CNc3nccn4c(C5=CCN(C(=O)OC(C)(C)C)CC5)cnc34)cc2C)ccn1.Cc1cc(-c2ncc(CNc3nccn4c(C5CCN(C(=O)OC(C)(C)C)CC5)cnc34)cc2C)ccn1
InChIInChI=1S/C29H35N7O2.C29H33N7O2.C19H17BrN6.C16H28BNO4/c2*1-19-14-21(16-32-25(19)23-6-9-30-20(2)15-23)17-33-26-27-34-18-24(36(27)13-10-31-26)22-7-11-35(12-8-22)28(37)38-29(3,4)5;1-12-7-14(9-23-17(12)15-3-4-21-13(2)8-15)10-24-18-19-25-11-16(20)26(19)6-5-22-18;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h6,9-10,13-16,18,22H,7-8,11-12,17H2,1-5H3,(H,31,33);6-7,9-10,13-16,18H,8,11-12,17H2,1-5H3,(H,31,33);3-9,11H,10H2,1-2H3,(H,22,24);8H,9-11H2,1-7H3
InChIKeyWBFWPHQLVBDTOE-UHFFFAOYSA-N
MW1743.78 g/mol
LogP18.33
Rot. Bonds15

About 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 167684794) has the molecular formula C93H113BBrN21O8 and a molecular weight of 1743.78 g/mol. Its IUPAC name is 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID167684794
Molecular FormulaC93H113BBrN21O8
Molecular Weight1743.78 g/mol
Exact Mass1741.84
IUPAC Name3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.Cc1cc(-c2ncc(CNc3nccn4c(Br)cnc34)cc2C)ccn1.Cc1cc(-c2ncc(CNc3nccn4c(C5=CCN(C(=O)OC(C)(C)C)CC5)cnc34)cc2C)ccn1.Cc1cc(-c2ncc(CNc3nccn4c(C5CCN(C(=O)OC(C)(C)C)CC5)cnc34)cc2C)ccn1
InChIInChI=1S/C29H35N7O2.C29H33N7O2.C19H17BrN6.C16H28BNO4/c2*1-19-14-21(16-32-25(19)23-6-9-30-20(2)15-23)17-33-26-27-34-18-24(36(27)13-10-31-26)22-7-11-35(12-8-22)28(37)38-29(3,4)5;1-12-7-14(9-23-17(12)15-3-4-21-13(2)8-15)10-24-18-19-25-11-16(20)26(19)6-5-22-18;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h6,9-10,13-16,18,22H,7-8,11-12,17H2,1-5H3,(H,31,33);6-7,9-10,13-16,18H,8,11-12,17H2,1-5H3,(H,31,33);3-9,11H,10H2,1-2H3,(H,22,24);8H,9-11H2,1-7H3
InChIKeyWBFWPHQLVBDTOE-UHFFFAOYSA-N
XLogP18.33
TPSA311.08 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.78
LogP ≤ 518.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (1S,4S)-5-[[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 141534949
1-[3-(7-Pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 159229773
Tert-butyl 4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazine-1-carboxylate;3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;1-[4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 162145302
Tert-butyl 3-[[3,5-difluoro-6-[7-(3-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 169129367
tert-butyl (3S,4S)-3-[[3,5-difluoro-6-[7-(3-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-4-fluoropiperidine-1-carboxylate
CID 169129463
tert-butyl (4S)-3-[[3,5-difluoro-6-[7-(3-tritylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]-4-fluoropiperidine-1-carboxylate
CID 170104979
Tert-butyl 4-[3-[[6-(4,4-difluorocyclohexyl)-3-pyridinyl]carbamoylamino]-5-fluoropyrrolo[2,3-b]pyridin-1-yl]piperidine-1-carboxylate;1-[6-(4,4-difluorocyclohexyl)-3-pyridinyl]-3-(5-fluoro-1-piperidin-4-ylpyrrolo[2,3-b]pyridin-3-yl)urea
CID 175824460
tert-butyl (2R)-2-[6-[4-[2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidine-1-carboxylate
CID 53492260
5-{7-[2-(1-Phenyl-ethylamino)-pyridin-4-yl]-imidazo[1,2-c]pyrimidin-5-yl}-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
CID 68908464
5-[7-(2-Benzylaminopyridin-4-yl)imidazo[1,2-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
CID 68908634
5-{7-[2-(1,2-Dimethyl-propylamino)-pyridin-4-yl]-imidazo[1,2-c]pyrimidin-5-yl}-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
CID 68908689
(R)-5-{7-[2-(1-phenyl-ethylamino)-pyridin-4-yl]-imidazo[1,2-c]pyrimidin-5-yl}-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
CID 68908692

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 167684794) is 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.Cc1cc(-c2ncc(CNc3nccn4c(Br)cnc34)cc2C)ccn1.Cc1cc(-c2ncc(CNc3nccn4c(C5=CCN(C(=O)OC(C)(C)C)CC5)cnc34)cc2C)ccn1.Cc1cc(-c2ncc(CNc3nccn4c(C5CCN(C(=O)OC(C)(C)C)CC5)cnc34)cc2C)ccn1.
What is the InChIKey of 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WBFWPHQLVBDTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O2.C29H33N7O2.C19H17BrN6.C16H28BNO4/c2*1-19-14-21(16-32-25(19)23-6-9-30-20(2)15-23)17-33-26-27-34-18-24(36(27)13-10-31-26)22-7-11-35(12-8-22)28(37)38-29(3,4)5;1-12-7-14(9-23-17(12)15-3-4-21-13(2)8-15)10-24-18-19-25-11-16(20)26(19)6-5-22-18;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h6,9-10,13-16,18,22H,7-8,11-12,17H2,1-5H3,(H,31,33);6-7,9-10,13-16,18H,8,11-12,17H2,1-5H3,(H,31,33);3-9,11H,10H2,1-2H3,(H,22,24);8H,9-11H2,1-7H3.
What are the key properties of 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 1743.78 g/mol, XLogP of 18.33, 15 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 167684794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).