N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

C22H26N6O4 — CID 78150737

IUPACN-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3OCC(=O)N(Cc4nccn4C)C3CO)cc2)n(C)n1
InChIInChI=1S/C22H26N6O4/c1-14-10-17(27(3)25-14)22(31)24-16-6-4-15(5-7-16)21-18(12-29)28(20(30)13-32-21)11-19-23-8-9-26(19)2/h4-10,18,21,29H,11-13H2,1-3H3,(H,24,31)
InChIKeyLOVXSQNXGBFBMX-UHFFFAOYSA-N
MW438.49 g/mol
LogP1.18
Rot. Bonds6

About N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 78150737) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID78150737
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC NameN-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3OCC(=O)N(Cc4nccn4C)C3CO)cc2)n(C)n1
InChIInChI=1S/C22H26N6O4/c1-14-10-17(27(3)25-14)22(31)24-16-6-4-15(5-7-16)21-18(12-29)28(20(30)13-32-21)11-19-23-8-9-26(19)2/h4-10,18,21,29H,11-13H2,1-3H3,(H,24,31)
InChIKeyLOVXSQNXGBFBMX-UHFFFAOYSA-N
XLogP1.18
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-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-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 78150737) is N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C3OCC(=O)N(Cc4nccn4C)C3CO)cc2)n(C)n1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is LOVXSQNXGBFBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-14-10-17(27(3)25-14)22(31)24-16-6-4-15(5-7-16)21-18(12-29)28(20(30)13-32-21)11-19-23-8-9-26(19)2/h4-10,18,21,29H,11-13H2,1-3H3,(H,24,31).
What are the key properties of N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 78150737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).