4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine

C18H25N5O — CID 167987540

IUPAC4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine
SMILESCC1CC(N2CCOCC2)CN1Cc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H25N5O/c1-15-10-17(21-6-8-24-9-7-21)13-23(15)12-16-2-3-18(20-11-16)22-5-4-19-14-22/h2-5,11,14-15,17H,6-10,12-13H2,1H3
InChIKeyQVCKMUIUHPKPNQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.56
Rot. Bonds4

About 4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine

4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine (PubChem CID 167987540) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine
PubChem CID167987540
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine
SMILESCC1CC(N2CCOCC2)CN1Cc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H25N5O/c1-15-10-17(21-6-8-24-9-7-21)13-23(15)12-16-2-3-18(20-11-16)22-5-4-19-14-22/h2-5,11,14-15,17H,6-10,12-13H2,1H3
InChIKeyQVCKMUIUHPKPNQ-UHFFFAOYSA-N
XLogP1.56
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]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-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine (CID 167987540) is 4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine is CC1CC(N2CCOCC2)CN1Cc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine?
The InChIKey is QVCKMUIUHPKPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-15-10-17(21-6-8-24-9-7-21)13-23(15)12-16-2-3-18(20-11-16)22-5-4-19-14-22/h2-5,11,14-15,17H,6-10,12-13H2,1H3.
What are the key properties of 4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine?
4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine has a molecular weight of 327.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]morpholine is sourced from PubChem (CID 167987540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).