4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine

C18H20N6O — CID 118739858

IUPAC4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine
SMILESCn1nccc1CN1CCOC(c2ccc(-c3cncnc3)cn2)C1
InChIInChI=1S/C18H20N6O/c1-23-16(4-5-22-23)11-24-6-7-25-18(12-24)17-3-2-14(10-21-17)15-8-19-13-20-9-15/h2-5,8-10,13,18H,6-7,11-12H2,1H3
InChIKeyKQQGUZSIJSTBOO-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.85
Rot. Bonds4

About 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine

4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine (PubChem CID 118739858) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine
PubChem CID118739858
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine
SMILESCn1nccc1CN1CCOC(c2ccc(-c3cncnc3)cn2)C1
InChIInChI=1S/C18H20N6O/c1-23-16(4-5-22-23)11-24-6-7-25-18(12-24)17-3-2-14(10-21-17)15-8-19-13-20-9-15/h2-5,8-10,13,18H,6-7,11-12H2,1H3
InChIKeyKQQGUZSIJSTBOO-UHFFFAOYSA-N
XLogP1.85
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine 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 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine (CID 118739858) is 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine is Cn1nccc1CN1CCOC(c2ccc(-c3cncnc3)cn2)C1.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine?
The InChIKey is KQQGUZSIJSTBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23-16(4-5-22-23)11-24-6-7-25-18(12-24)17-3-2-14(10-21-17)15-8-19-13-20-9-15/h2-5,8-10,13,18H,6-7,11-12H2,1H3.
What are the key properties of 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine?
4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine has a molecular weight of 336.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine is sourced from PubChem (CID 118739858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).