3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate

C47H42N18O4 — CID 87151625

IUPAC3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)n2ccc(Nc3nc4ccccn4c3-c3cc(N)nc(C)n3)n2)cc1.Cc1nc(N)cc(-c2c(Nc3ccn(C(=O)NCc4ccccc4)n3)nc3ccccn23)n1
InChIInChI=1S/C24H21N9O3.C23H21N9O/c1-14-26-17(13-18(25)27-14)21-22(30-20-5-3-4-11-32(20)21)29-19-10-12-33(31-19)24(35)28-16-8-6-15(7-9-16)23(34)36-2;1-15-26-17(13-18(24)27-15)21-22(29-20-9-5-6-11-31(20)21)28-19-10-12-32(30-19)23(33)25-14-16-7-3-2-4-8-16/h3-13H,1-2H3,(H,28,35)(H,29,31)(H2,25,26,27);2-13H,14H2,1H3,(H,25,33)(H,28,30)(H2,24,26,27)
InChIKeyUZMDAGYHZDKZJA-UHFFFAOYSA-N
MW922.97 g/mol
LogP6.87
Rot. Bonds10

About 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate

3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate (PubChem CID 87151625) has the molecular formula C47H42N18O4 and a molecular weight of 922.97 g/mol. Its IUPAC name is 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Name3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate
PubChem CID87151625
Molecular FormulaC47H42N18O4
Molecular Weight922.97 g/mol
Exact Mass922.36
IUPAC Name3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)n2ccc(Nc3nc4ccccn4c3-c3cc(N)nc(C)n3)n2)cc1.Cc1nc(N)cc(-c2c(Nc3ccn(C(=O)NCc4ccccc4)n3)nc3ccccn23)n1
InChIInChI=1S/C24H21N9O3.C23H21N9O/c1-14-26-17(13-18(25)27-14)21-22(30-20-5-3-4-11-32(20)21)29-19-10-12-33(31-19)24(35)28-16-8-6-15(7-9-16)23(34)36-2;1-15-26-17(13-18(24)27-15)21-22(29-20-9-5-6-11-31(20)21)28-19-10-12-32(30-19)23(33)25-14-16-7-3-2-4-8-16/h3-13H,1-2H3,(H,28,35)(H,29,31)(H2,25,26,27);2-13H,14H2,1H3,(H,25,33)(H,28,30)(H2,24,26,27)
InChIKeyUZMDAGYHZDKZJA-UHFFFAOYSA-N
XLogP6.87
TPSA282.40 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500922.97
LogP ≤ 56.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate?
The IUPAC name of 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate (CID 87151625) is 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate.
What is the SMILES notation for 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate?
The canonical SMILES for 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)n2ccc(Nc3nc4ccccn4c3-c3cc(N)nc(C)n3)n2)cc1.Cc1nc(N)cc(-c2c(Nc3ccn(C(=O)NCc4ccccc4)n3)nc3ccccn23)n1.
What is the InChIKey of 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate?
The InChIKey is UZMDAGYHZDKZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9O3.C23H21N9O/c1-14-26-17(13-18(25)27-14)21-22(30-20-5-3-4-11-32(20)21)29-19-10-12-33(31-19)24(35)28-16-8-6-15(7-9-16)23(34)36-2;1-15-26-17(13-18(24)27-15)21-22(29-20-9-5-6-11-31(20)21)28-19-10-12-32(30-19)23(33)25-14-16-7-3-2-4-8-16/h3-13H,1-2H3,(H,28,35)(H,29,31)(H2,25,26,27);2-13H,14H2,1H3,(H,25,33)(H,28,30)(H2,24,26,27).
What are the key properties of 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate?
3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate has a molecular weight of 922.97 g/mol, XLogP of 6.87, 10 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate is sourced from PubChem (CID 87151625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).