1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone

C24H25N7O2 — CID 133330307

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone
SMILESCC1CN(C(=O)Cn2cc(Nc3nc(-c4cccnc4)nc4ccccc34)cn2)CC(C)O1
InChIInChI=1S/C24H25N7O2/c1-16-12-30(13-17(2)33-16)22(32)15-31-14-19(11-26-31)27-24-20-7-3-4-8-21(20)28-23(29-24)18-6-5-9-25-10-18/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,27,28,29)
InChIKeyABWKZADWROQODC-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.27
Rot. Bonds5

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone (PubChem CID 133330307) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone
PubChem CID133330307
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone
SMILESCC1CN(C(=O)Cn2cc(Nc3nc(-c4cccnc4)nc4ccccc34)cn2)CC(C)O1
InChIInChI=1S/C24H25N7O2/c1-16-12-30(13-17(2)33-16)22(32)15-31-14-19(11-26-31)27-24-20-7-3-4-8-21(20)28-23(29-24)18-6-5-9-25-10-18/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,27,28,29)
InChIKeyABWKZADWROQODC-UHFFFAOYSA-N
XLogP3.27
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone 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-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone (CID 133330307) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone is CC1CN(C(=O)Cn2cc(Nc3nc(-c4cccnc4)nc4ccccc34)cn2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone?
The InChIKey is ABWKZADWROQODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-16-12-30(13-17(2)33-16)22(32)15-31-14-19(11-26-31)27-24-20-7-3-4-8-21(20)28-23(29-24)18-6-5-9-25-10-18/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,27,28,29).
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone has a molecular weight of 443.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]pyrazol-1-yl]ethanone is sourced from PubChem (CID 133330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).