N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide

C20H26N8O2 — CID 121416921

IUPACN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1nccnc1-n1cccn1
InChIInChI=1S/C20H26N8O2/c1-5-27(14-13-26(4)19-23-9-7-15(25-19)20(2,3)30)18(29)16-17(22-11-10-21-16)28-12-6-8-24-28/h6-12,30H,5,13-14H2,1-4H3
InChIKeyOUEBMPOZKNJOMP-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.28
Rot. Bonds8

About N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide

N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide (PubChem CID 121416921) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide
PubChem CID121416921
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1nccnc1-n1cccn1
InChIInChI=1S/C20H26N8O2/c1-5-27(14-13-26(4)19-23-9-7-15(25-19)20(2,3)30)18(29)16-17(22-11-10-21-16)28-12-6-8-24-28/h6-12,30H,5,13-14H2,1-4H3
InChIKeyOUEBMPOZKNJOMP-UHFFFAOYSA-N
XLogP1.28
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide 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 N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide (CID 121416921) is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide is CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1nccnc1-n1cccn1.
What is the InChIKey of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide?
The InChIKey is OUEBMPOZKNJOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-5-27(14-13-26(4)19-23-9-7-15(25-19)20(2,3)30)18(29)16-17(22-11-10-21-16)28-12-6-8-24-28/h6-12,30H,5,13-14H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide?
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 121416921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).