methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate

C53H47N27O6 — CID 87151675

IUPACmethyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate
SMILESCOC(=O)n1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)n1.COC(=O)n1nccc1Nc1nc2ccccn2c1-c1nc(C)nc(N)n1.Cc1nc(N)nc(-c2c(Nc3cnn(C(=O)Oc4ccccc4)c3)nc3ccccn23)n1
InChIInChI=1S/C21H17N9O2.2C16H15N9O2/c1-13-24-18(28-20(22)25-13)17-19(27-16-9-5-6-10-29(16)17)26-14-11-23-30(12-14)21(31)32-15-7-3-2-4-8-15;1-9-19-13(23-15(17)20-9)12-14(21-10-5-3-4-8-24(10)12)22-11-6-7-18-25(11)16(26)27-2;1-9-18-13(22-15(17)19-9)12-14(21-11-5-3-4-7-24(11)12)20-10-6-8-25(23-10)16(26)27-2/h2-12,26H,1H3,(H2,22,24,25,28);3-8,22H,1-2H3,(H2,17,19,20,23);3-8H,1-2H3,(H,20,23)(H2,17,18,19,22)
InChIKeyLONOGHHUBGGEPX-UHFFFAOYSA-N
MW1158.14 g/mol
LogP6.33
Rot. Bonds10

About methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate

methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate (PubChem CID 87151675) has the molecular formula C53H47N27O6 and a molecular weight of 1158.14 g/mol. Its IUPAC name is methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate
PubChem CID87151675
Molecular FormulaC53H47N27O6
Molecular Weight1158.14 g/mol
Exact Mass1157.42
IUPAC Namemethyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate
SMILESCOC(=O)n1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)n1.COC(=O)n1nccc1Nc1nc2ccccn2c1-c1nc(C)nc(N)n1.Cc1nc(N)nc(-c2c(Nc3cnn(C(=O)Oc4ccccc4)c3)nc3ccccn23)n1
InChIInChI=1S/C21H17N9O2.2C16H15N9O2/c1-13-24-18(28-20(22)25-13)17-19(27-16-9-5-6-10-29(16)17)26-14-11-23-30(12-14)21(31)32-15-7-3-2-4-8-15;1-9-19-13(23-15(17)20-9)12-14(21-10-5-3-4-8-24(10)12)22-11-6-7-18-25(11)16(26)27-2;1-9-18-13(22-15(17)19-9)12-14(21-11-5-3-4-7-24(11)12)20-10-6-8-25(23-10)16(26)27-2/h2-12,26H,1H3,(H2,22,24,25,28);3-8,22H,1-2H3,(H2,17,19,20,23);3-8H,1-2H3,(H,20,23)(H2,17,18,19,22)
InChIKeyLONOGHHUBGGEPX-UHFFFAOYSA-N
XLogP6.33
TPSA414.42 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001158.14
LogP ≤ 56.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate?
The IUPAC name of methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate (CID 87151675) is methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate.
What is the SMILES notation for methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate?
The canonical SMILES for methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate is COC(=O)n1ccc(Nc2nc3ccccn3c2-c2nc(C)nc(N)n2)n1.COC(=O)n1nccc1Nc1nc2ccccn2c1-c1nc(C)nc(N)n1.Cc1nc(N)nc(-c2c(Nc3cnn(C(=O)Oc4ccccc4)c3)nc3ccccn23)n1.
What is the InChIKey of methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate?
The InChIKey is LONOGHHUBGGEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9O2.2C16H15N9O2/c1-13-24-18(28-20(22)25-13)17-19(27-16-9-5-6-10-29(16)17)26-14-11-23-30(12-14)21(31)32-15-7-3-2-4-8-15;1-9-19-13(23-15(17)20-9)12-14(21-10-5-3-4-8-24(10)12)22-11-6-7-18-25(11)16(26)27-2;1-9-18-13(22-15(17)19-9)12-14(21-11-5-3-4-7-24(11)12)20-10-6-8-25(23-10)16(26)27-2/h2-12,26H,1H3,(H2,22,24,25,28);3-8,22H,1-2H3,(H2,17,19,20,23);3-8H,1-2H3,(H,20,23)(H2,17,18,19,22).
What are the key properties of methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate?
methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate has a molecular weight of 1158.14 g/mol, XLogP of 6.33, 10 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;methyl 5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate;phenyl 4-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carboxylate is sourced from PubChem (CID 87151675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).