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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C57H50N24O5S — CID 159390529

IUPACN-[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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cc1.COc1ncc(-c2cnc3nnn(C(C)c4ccc5cccn5c4)c3n2)cc1NS(C)(=O)=O.OCCn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1
InChIInChI=1S/C21H20N8O3S.C19H15N7O.C17H15N9O/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;1-27-16-6-3-14(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/h4-13,26H,1-3H3;2-11H,12H2,1H3;1-4,7-9,11,27H,5-6,10H2
InChIKeyLMBAMIFCQQGZKO-UHFFFAOYSA-N
MW1183.26 g/mol
LogP5.89
Rot. Bonds15

About 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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 159390529) has the molecular formula C57H50N24O5S and a molecular weight of 1183.26 g/mol. Its IUPAC name is 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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound NameN-[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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID159390529
Molecular FormulaC57H50N24O5S
Molecular Weight1183.26 g/mol
Exact Mass1182.41
IUPAC NameN-[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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cc1.COc1ncc(-c2cnc3nnn(C(C)c4ccc5cccn5c4)c3n2)cc1NS(C)(=O)=O.OCCn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1
InChIInChI=1S/C21H20N8O3S.C19H15N7O.C17H15N9O/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;1-27-16-6-3-14(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/h4-13,26H,1-3H3;2-11H,12H2,1H3;1-4,7-9,11,27H,5-6,10H2
InChIKeyLMBAMIFCQQGZKO-UHFFFAOYSA-N
XLogP5.89
TPSA324.05 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001183.26
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 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;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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Frequently Asked Questions

What is the IUPAC name of 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;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 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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 159390529) is 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;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 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;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 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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is COc1ccc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cc1.COc1ncc(-c2cnc3nnn(C(C)c4ccc5cccn5c4)c3n2)cc1NS(C)(=O)=O.OCCn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1.
What is the InChIKey of 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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is LMBAMIFCQQGZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3S.C19H15N7O.C17H15N9O/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;1-27-16-6-3-14(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/h4-13,26H,1-3H3;2-11H,12H2,1H3;1-4,7-9,11,27H,5-6,10H2.
What are the key properties of 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;2-[4-[3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
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;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 1183.26 g/mol, XLogP of 5.89, 15 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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 159390529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).