3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C94H84N42O6S — CID 157282048

IUPAC3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.COc1ccc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cc1.COc1ncc(-c2cnc3nnn(C(C)c4ccc5cccn5c4)c3n2)cc1NS(C)(=O)=O.OCCn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1.c1cc2ccc(Cn3nnc4ncc(-c5cnn(C6CCOCC6)c5)nc43)cn2n1
InChIInChI=1S/C21H20N8O3S.C20H19N9O.C19H15N7O.C17H15N9O.C17H15N9/c1-13(14-6-7-16-5-4-8-28(16)12-14)29-20-19(25-27-29)22-11-18(24-20)15-9-17(26-33(3,30)31)21(32-2)23-10-15;1-2-16-3-6-22-27(16)11-14(1)12-29-20-19(25-26-29)21-10-18(24-20)15-9-23-28(13-15)17-4-7-30-8-5-17;1-27-16-6-3-14(4-7-16)17-10-20-18-19(22-17)26(24-23-18)12-13-2-5-15-8-9-21-25(15)11-13;27-6-5-24-11-13(7-20-24)15-8-18-16-17(21-15)26(23-22-16)10-12-1-2-14-3-4-19-25(14)9-12;1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h4-13,26H,1-3H3;1-3,6,9-11,13,17H,4-5,7-8,12H2;2-11H,12H2,1H3;1-4,7-9,11,27H,5-6,10H2;3-11H,1-2H3
InChIKeyAZTWLHIHDCTIOE-UHFFFAOYSA-N
MW1930.06 g/mol
LogP9.90
Rot. Bonds22

About 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 157282048) has the molecular formula C94H84N42O6S and a molecular weight of 1930.06 g/mol. Its IUPAC name is 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID157282048
Molecular FormulaC94H84N42O6S
Molecular Weight1930.06 g/mol
Exact Mass1928.73
IUPAC Name3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.COc1ccc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cc1.COc1ncc(-c2cnc3nnn(C(C)c4ccc5cccn5c4)c3n2)cc1NS(C)(=O)=O.OCCn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1.c1cc2ccc(Cn3nnc4ncc(-c5cnn(C6CCOCC6)c5)nc43)cn2n1
InChIInChI=1S/C21H20N8O3S.C20H19N9O.C19H15N7O.C17H15N9O.C17H15N9/c1-13(14-6-7-16-5-4-8-28(16)12-14)29-20-19(25-27-29)22-11-18(24-20)15-9-17(26-33(3,30)31)21(32-2)23-10-15;1-2-16-3-6-22-27(16)11-14(1)12-29-20-19(25-26-29)21-10-18(24-20)15-9-23-28(13-15)17-4-7-30-8-5-17;1-27-16-6-3-14(4-7-16)17-10-20-18-19(22-17)26(24-23-18)12-13-2-5-15-8-9-21-25(15)11-13;27-6-5-24-11-13(7-20-24)15-8-18-16-17(21-15)26(23-22-16)10-12-1-2-14-3-4-19-25(14)9-12;1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h4-13,26H,1-3H3;1-3,6,9-11,13,17H,4-5,7-8,12H2;2-11H,12H2,1H3;1-4,7-9,11,27H,5-6,10H2;3-11H,1-2H3
InChIKeyAZTWLHIHDCTIOE-UHFFFAOYSA-N
XLogP9.90
TPSA516.50 Ų
H-Bond Donors2
H-Bond Acceptors47
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001930.06
LogP ≤ 59.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1047

Analyze 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

WO2022090481, Example I-022
CID 163273430
PI3Kdelta Inhibitor 1
CID 138319687
N-[2-methoxy-5-[1-methyl-4-[[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]methoxy]pyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145984743
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
N-[2-methoxy-5-[1-methyl-4-[(3R)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]oxypyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145967673
N-[2-methoxy-5-[1-methyl-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]oxypyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145969260
N-[2-methoxy-5-[1-methyl-4-[(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]oxypyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145970202
N-[2-methoxy-5-[1-methyl-4-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]oxypyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145970398
N-[5-[4-[[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methoxy]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 145983571
N-[2-methoxy-5-[1-methyl-4-[[(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methoxy]pyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145985568
N-[5-[4-[(3R)-1-benzylpyrrolidin-3-yl]oxy-1-methylpyrazolo[5,4-b]pyridin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 145986596
WO2022090481, Example I-173
CID 163273431

Frequently Asked Questions

What is the IUPAC name of 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 157282048) is 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.COc1ccc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cc1.COc1ncc(-c2cnc3nnn(C(C)c4ccc5cccn5c4)c3n2)cc1NS(C)(=O)=O.OCCn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1.c1cc2ccc(Cn3nnc4ncc(-c5cnn(C6CCOCC6)c5)nc43)cn2n1.
What is the InChIKey of 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is AZTWLHIHDCTIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3S.C20H19N9O.C19H15N7O.C17H15N9O.C17H15N9/c1-13(14-6-7-16-5-4-8-28(16)12-14)29-20-19(25-27-29)22-11-18(24-20)15-9-17(26-33(3,30)31)21(32-2)23-10-15;1-2-16-3-6-22-27(16)11-14(1)12-29-20-19(25-26-29)21-10-18(24-20)15-9-23-28(13-15)17-4-7-30-8-5-17;1-27-16-6-3-14(4-7-16)17-10-20-18-19(22-17)26(24-23-18)12-13-2-5-15-8-9-21-25(15)11-13;27-6-5-24-11-13(7-20-24)15-8-18-16-17(21-15)26(23-22-16)10-12-1-2-14-3-4-19-25(14)9-12;1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h4-13,26H,1-3H3;1-3,6,9-11,13,17H,4-5,7-8,12H2;2-11H,12H2,1H3;1-4,7-9,11,27H,5-6,10H2;3-11H,1-2H3.
What are the key properties of 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 1930.06 g/mol, XLogP of 9.90, 22 rotatable bonds, 2 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;N-[5-[3-(1-indolizin-6-ylethyl)triazolo[4,5-b]pyrazin-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;5-(4-methoxyphenyl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[1-(oxan-4-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 157282048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).