[1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone

C25H25FN6O2 — CID 137490316

IUPAC[1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccc(-n3cnc4c(F)cc(N5CC(C(=O)N6CCOCC6)C5)cc43)cc2)cn1
InChIInChI=1S/C25H25FN6O2/c1-29-13-18(12-28-29)17-2-4-20(5-3-17)32-16-27-24-22(26)10-21(11-23(24)32)31-14-19(15-31)25(33)30-6-8-34-9-7-30/h2-5,10-13,16,19H,6-9,14-15H2,1H3
InChIKeyCRWSKWCKINEKTL-UHFFFAOYSA-N
MW460.51 g/mol
LogP2.86
Rot. Bonds4

About [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone

[1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 137490316) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone
PubChem CID137490316
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name[1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccc(-n3cnc4c(F)cc(N5CC(C(=O)N6CCOCC6)C5)cc43)cc2)cn1
InChIInChI=1S/C25H25FN6O2/c1-29-13-18(12-28-29)17-2-4-20(5-3-17)32-16-27-24-22(26)10-21(11-23(24)32)31-14-19(15-31)25(33)30-6-8-34-9-7-30/h2-5,10-13,16,19H,6-9,14-15H2,1H3
InChIKeyCRWSKWCKINEKTL-UHFFFAOYSA-N
XLogP2.86
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone 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 [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone (CID 137490316) is [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone is Cn1cc(-c2ccc(-n3cnc4c(F)cc(N5CC(C(=O)N6CCOCC6)C5)cc43)cc2)cn1.
What is the InChIKey of [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CRWSKWCKINEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-29-13-18(12-28-29)17-2-4-20(5-3-17)32-16-27-24-22(26)10-21(11-23(24)32)31-14-19(15-31)25(33)30-6-8-34-9-7-30/h2-5,10-13,16,19H,6-9,14-15H2,1H3.
What are the key properties of [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone?
[1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 460.51 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-fluoro-3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]azetidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137490316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).