5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide

C21H20N8O — CID 139508892

IUPAC5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1cn2c(N)nc(-c3cccc(C#N)c3)c(-c3ccnn3CC)c2n1
InChIInChI=1S/C21H20N8O/c1-3-24-20(30)15-12-28-19(26-15)17(16-8-9-25-29(16)4-2)18(27-21(28)23)14-7-5-6-13(10-14)11-22/h5-10,12H,3-4H2,1-2H3,(H2,23,27)(H,24,30)
InChIKeyYPDKKXLRPITHDF-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.48
Rot. Bonds5

About 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide

5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 139508892) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID139508892
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1cn2c(N)nc(-c3cccc(C#N)c3)c(-c3ccnn3CC)c2n1
InChIInChI=1S/C21H20N8O/c1-3-24-20(30)15-12-28-19(26-15)17(16-8-9-25-29(16)4-2)18(27-21(28)23)14-7-5-6-13(10-14)11-22/h5-10,12H,3-4H2,1-2H3,(H2,23,27)(H,24,30)
InChIKeyYPDKKXLRPITHDF-UHFFFAOYSA-N
XLogP2.48
TPSA126.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (CID 139508892) is 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is CCNC(=O)c1cn2c(N)nc(-c3cccc(C#N)c3)c(-c3ccnn3CC)c2n1.
What is the InChIKey of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is YPDKKXLRPITHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-3-24-20(30)15-12-28-19(26-15)17(16-8-9-25-29(16)4-2)18(27-21(28)23)14-7-5-6-13(10-14)11-22/h5-10,12H,3-4H2,1-2H3,(H2,23,27)(H,24,30).
What are the key properties of 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-(3-cyanophenyl)-N-ethyl-8-(2-ethylpyrazol-3-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 139508892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).