5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C61H61N23O2S — CID 159228015

IUPAC5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCCOCc1ccc2ccc(Cn3ccc4ncc(-c5cnn(C)c5)nc43)cn12.CCn1cc2sc(Cn3nnc4ncc(-c5cnn(CCO)c5)nc43)cc2n1.c1cc2ccc(Cn3nnc4ncc(-c5cnn(C6CCCCC6)c5)nc43)cn2c1
InChIInChI=1S/C22H22N8.C22H22N6O.C17H17N9OS/c1-2-5-19(6-3-1)29-15-17(11-24-29)20-12-23-21-22(25-20)30(27-26-21)14-16-8-9-18-7-4-10-28(18)13-16;1-3-29-15-19-7-6-18-5-4-16(13-28(18)19)12-27-9-8-20-22(27)25-21(11-23-20)17-10-24-26(2)14-17;1-2-24-10-15-13(22-24)5-12(28-15)9-26-17-16(21-23-26)18-7-14(20-17)11-6-19-25(8-11)3-4-27/h4,7-13,15,19H,1-3,5-6,14H2;4-11,13-14H,3,12,15H2,1-2H3;5-8,10,27H,2-4,9H2,1H3
InChIKeyKSNPCTUTIVWBSF-UHFFFAOYSA-N
MW1180.38 g/mol
LogP9.12
Rot. Bonds16

About 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 159228015) has the molecular formula C61H61N23O2S and a molecular weight of 1180.38 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
PubChem CID159228015
Molecular FormulaC61H61N23O2S
Molecular Weight1180.38 g/mol
Exact Mass1179.51
IUPAC Name5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
SMILESCCOCc1ccc2ccc(Cn3ccc4ncc(-c5cnn(C)c5)nc43)cn12.CCn1cc2sc(Cn3nnc4ncc(-c5cnn(CCO)c5)nc43)cc2n1.c1cc2ccc(Cn3nnc4ncc(-c5cnn(C6CCCCC6)c5)nc43)cn2c1
InChIInChI=1S/C22H22N8.C22H22N6O.C17H17N9OS/c1-2-5-19(6-3-1)29-15-17(11-24-29)20-12-23-21-22(25-20)30(27-26-21)14-16-8-9-18-7-4-10-28(18)13-16;1-3-29-15-19-7-6-18-5-4-16(13-28(18)19)12-27-9-8-20-22(27)25-21(11-23-20)17-10-24-26(2)14-17;1-2-24-10-15-13(22-24)5-12(28-15)9-26-17-16(21-23-26)18-7-14(20-17)11-6-19-25(8-11)3-4-27/h4,7-13,15,19H,1-3,5-6,14H2;4-11,13-14H,3,12,15H2,1-2H3;5-8,10,27H,2-4,9H2,1H3
InChIKeyKSNPCTUTIVWBSF-UHFFFAOYSA-N
XLogP9.12
TPSA253.25 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001180.38
LogP ≤ 59.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

3-(1-benzothiophen-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(1-benzothiophen-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(4H-cyclopenta[b]thiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(4H-cyclopenta[b]thiophen-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 157684477
3-(Indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 161865811
3-(indolizin-7-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-7-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-pyridin-4-yltriazolo[4,5-b]pyrazine;3-(indolizin-7-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;5-(4-methoxyphenyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(thieno[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 161995099
N-[3-[2-[10-(3,5-dimethyltriazol-4-yl)-7-[oxan-4-yl(phenyl)methyl]-3-thia-7,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]propan-2-yloxy]propyl]-3-methoxy-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 155662220
3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 157091024
3-(4H-cyclopenta[b]thiophen-2-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-ethyl-5-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;4-[[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 157584876
5-(1-Cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 158005964
azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 158600766
2-[4-[3-[1-(1-Benzothiophen-2-yl)ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(4-fluorophenyl)-3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(1-pyrazolo[1,5-a]pyridin-5-ylethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 158726322
2-ethyl-5-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyrazole;2-[4-[3-[(1R)-1-indolizin-7-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole
CID 159603254
5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[[5-[1-(oxetan-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole
CID 159786239
azane;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 160259255

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 159228015) is 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is CCOCc1ccc2ccc(Cn3ccc4ncc(-c5cnn(C)c5)nc43)cn12.CCn1cc2sc(Cn3nnc4ncc(-c5cnn(CCO)c5)nc43)cc2n1.c1cc2ccc(Cn3nnc4ncc(-c5cnn(C6CCCCC6)c5)nc43)cn2c1.
What is the InChIKey of 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is KSNPCTUTIVWBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8.C22H22N6O.C17H17N9OS/c1-2-5-19(6-3-1)29-15-17(11-24-29)20-12-23-21-22(25-20)30(27-26-21)14-16-8-9-18-7-4-10-28(18)13-16;1-3-29-15-19-7-6-18-5-4-16(13-28(18)19)12-27-9-8-20-22(27)25-21(11-23-20)17-10-24-26(2)14-17;1-2-24-10-15-13(22-24)5-12(28-15)9-26-17-16(21-23-26)18-7-14(20-17)11-6-19-25(8-11)3-4-27/h4,7-13,15,19H,1-3,5-6,14H2;4-11,13-14H,3,12,15H2,1-2H3;5-8,10,27H,2-4,9H2,1H3.
What are the key properties of 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?
5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 1180.38 g/mol, XLogP of 9.12, 16 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;5-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 159228015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).