3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide

C23H27N5O2 — CID 124947759

IUPAC3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCCn1cc(CN2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)n1
InChIInChI=1S/C23H27N5O2/c1-3-28-14-19(16(2)26-28)13-27-10-11-30-22(15-27)21-9-5-8-20(25-21)17-6-4-7-18(12-17)23(24)29/h4-9,12,14,22H,3,10-11,13,15H2,1-2H3,(H2,24,29)/t22-/m1/s1
InChIKeyCHUYULGIIXZKGT-JOCHJYFZSA-N
MW405.50 g/mol
LogP2.95
Rot. Bonds6

About 3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide

3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 124947759) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
PubChem CID124947759
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCCn1cc(CN2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)n1
InChIInChI=1S/C23H27N5O2/c1-3-28-14-19(16(2)26-28)13-27-10-11-30-22(15-27)21-9-5-8-20(25-21)17-6-4-7-18(12-17)23(24)29/h4-9,12,14,22H,3,10-11,13,15H2,1-2H3,(H2,24,29)/t22-/m1/s1
InChIKeyCHUYULGIIXZKGT-JOCHJYFZSA-N
XLogP2.95
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide 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-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide (CID 124947759) is 3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide is CCn1cc(CN2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)n1.
What is the InChIKey of 3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is CHUYULGIIXZKGT-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-28-14-19(16(2)26-28)13-27-10-11-30-22(15-27)21-9-5-8-20(25-21)17-6-4-7-18(12-17)23(24)29/h4-9,12,14,22H,3,10-11,13,15H2,1-2H3,(H2,24,29)/t22-/m1/s1.
What are the key properties of 3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 124947759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).