tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C56H74BClN14O8 — CID 158503933

IUPACtert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCC(C)(C)OC(=O)NC1CC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)NC1CC=C(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1.Clc1cc(Nc2ccc(N3CCOCC3)cn2)c2ncnn2c1
InChIInChI=1S/C25H31N7O3.C16H28BNO4.C15H15ClN6O/c1-25(2,3)35-24(33)29-19-5-4-17(12-19)18-13-21(23-27-16-28-32(23)15-18)30-22-7-6-20(14-26-22)31-8-10-34-11-9-31;1-14(2,3)20-13(19)18-12-9-8-11(10-12)17-21-15(4,5)16(6,7)22-17;16-11-7-13(15-18-10-19-22(15)9-11)20-14-2-1-12(8-17-14)21-3-5-23-6-4-21/h4,6-7,13-16,19H,5,8-12H2,1-3H3,(H,26,30)(H,29,33);8,12H,9-10H2,1-7H3,(H,18,19);1-2,7-10H,3-6H2,(H,17,20)
InChIKeyHKFXBIHTXDQFGC-UHFFFAOYSA-N
MW1117.56 g/mol
LogP9.36
Rot. Bonds10

About tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 158503933) has the molecular formula C56H74BClN14O8 and a molecular weight of 1117.56 g/mol. Its IUPAC name is tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Nametert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID158503933
Molecular FormulaC56H74BClN14O8
Molecular Weight1117.56 g/mol
Exact Mass1116.56
IUPAC Nametert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCC(C)(C)OC(=O)NC1CC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)NC1CC=C(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1.Clc1cc(Nc2ccc(N3CCOCC3)cn2)c2ncnn2c1
InChIInChI=1S/C25H31N7O3.C16H28BNO4.C15H15ClN6O/c1-25(2,3)35-24(33)29-19-5-4-17(12-19)18-13-21(23-27-16-28-32(23)15-18)30-22-7-6-20(14-26-22)31-8-10-34-11-9-31;1-14(2,3)20-13(19)18-12-9-8-11(10-12)17-21-15(4,5)16(6,7)22-17;16-11-7-13(15-18-10-19-22(15)9-11)20-14-2-1-12(8-17-14)21-3-5-23-6-4-21/h4,6-7,13-16,19H,5,8-12H2,1-3H3,(H,26,30)(H,29,33);8,12H,9-10H2,1-7H3,(H,18,19);1-2,7-10H,3-6H2,(H,17,20)
InChIKeyHKFXBIHTXDQFGC-UHFFFAOYSA-N
XLogP9.36
TPSA230.28 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.56
LogP ≤ 59.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine with MolForge

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Related Compounds

Tert-butyl 4-[4-[1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[6-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 160026379
tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate
CID 178053419
tert-butyl N-[(3S,4S)-8-[3-(6-chloro-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 135388471
4-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-3H-indol-2-amine;N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]acetamide
CID 157096090
tert-butyl N-[2-[[3-(4-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl-methylamino]ethyl]carbamate;tert-butyl N-[2-[methyl-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;4,6-dichloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine;N'-methyl-N'-[[3-(3-methyl-4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine;N'-methyl-N'-[[3-[3-methyl-4-(oxan-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
CID 157129731
tert-butyl 7-[3-[3-(dimethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-[3-(7-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]-1,1-dimethylurea;1,1-dimethyl-3-[3-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]urea;1,1-dimethyl-3-[3-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]urea;ethane
CID 157291982
tert-butyl N-[(3S,4S)-8-[3-(6-chloro-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[1-(oxan-2-yl)-3-[6-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride
CID 157560592
methane;(3R)-3-methyl-4-(2-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine;4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]aniline;1-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 157614554
tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-chloro-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)-1,5-naphthyridine;2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;6-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane
CID 157677629
tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;(2R,6S)-2,6-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 157914782
tert-butyl N-[(3S,4S)-8-[3-(6-chloro-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-3-methyl-8-[3-[6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-3-methyl-8-[7-[6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158044740
4-[1-(1-benzylpiperidin-4-yl)-6-chloropyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-[2-(methylamino)ethyl]urea;tert-butyl N-(2-aminoethyl)-N-methylcarbamate;tert-butyl N-[2-[[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoylamino]ethyl]carbamate;2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tritium monohydride
CID 158167885

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 158503933) is tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CC(C)(C)OC(=O)NC1CC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)NC1CC=C(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1.Clc1cc(Nc2ccc(N3CCOCC3)cn2)c2ncnn2c1.
What is the InChIKey of tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is HKFXBIHTXDQFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3.C16H28BNO4.C15H15ClN6O/c1-25(2,3)35-24(33)29-19-5-4-17(12-19)18-13-21(23-27-16-28-32(23)15-18)30-22-7-6-20(14-26-22)31-8-10-34-11-9-31;1-14(2,3)20-13(19)18-12-9-8-11(10-12)17-21-15(4,5)16(6,7)22-17;16-11-7-13(15-18-10-19-22(15)9-11)20-14-2-1-12(8-17-14)21-3-5-23-6-4-21/h4,6-7,13-16,19H,5,8-12H2,1-3H3,(H,26,30)(H,29,33);8,12H,9-10H2,1-7H3,(H,18,19);1-2,7-10H,3-6H2,(H,17,20).
What are the key properties of tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 1117.56 g/mol, XLogP of 9.36, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]carbamate;tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]carbamate;6-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 158503933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).