N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide

C25H27N7O3 — CID 175622672

IUPACN-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(=O)N1CC(Oc2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)c3cnn(C)c3)nc2)C1
InChIInChI=1S/C25H27N7O3/c1-17(33)32-15-22(16-32)35-21-7-8-23(28-13-21)30-25(34)24(20-12-29-31(2)14-20)27-10-9-18-3-5-19(11-26)6-4-18/h3-8,12-14,22,24,27H,9-10,15-16H2,1-2H3,(H,28,30,34)
InChIKeyMWUJJDLNDSEWAX-UHFFFAOYSA-N
MW473.54 g/mol
LogP1.81
Rot. Bonds9

About N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide

N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 175622672) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID175622672
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(=O)N1CC(Oc2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)c3cnn(C)c3)nc2)C1
InChIInChI=1S/C25H27N7O3/c1-17(33)32-15-22(16-32)35-21-7-8-23(28-13-21)30-25(34)24(20-12-29-31(2)14-20)27-10-9-18-3-5-19(11-26)6-4-18/h3-8,12-14,22,24,27H,9-10,15-16H2,1-2H3,(H,28,30,34)
InChIKeyMWUJJDLNDSEWAX-UHFFFAOYSA-N
XLogP1.81
TPSA125.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide 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-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide (CID 175622672) is N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide is CC(=O)N1CC(Oc2ccc(NC(=O)C(NCCc3ccc(C#N)cc3)c3cnn(C)c3)nc2)C1.
What is the InChIKey of N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is MWUJJDLNDSEWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-17(33)32-15-22(16-32)35-21-7-8-23(28-13-21)30-25(34)24(20-12-29-31(2)14-20)27-10-9-18-3-5-19(11-26)6-4-18/h3-8,12-14,22,24,27H,9-10,15-16H2,1-2H3,(H,28,30,34).
What are the key properties of N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide?
N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 473.54 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 175622672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).