N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide

C24H21N5O4 — CID 118453383

IUPACN-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESNc1cc(Oc2ccccc2NC(=O)c2c3n(n(-c4ccccc4)c2=O)CCOC3)ccn1
InChIInChI=1S/C24H21N5O4/c25-21-14-17(10-11-26-21)33-20-9-5-4-8-18(20)27-23(30)22-19-15-32-13-12-28(19)29(24(22)31)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,25,26)(H,27,30)
InChIKeyRKJDESNNWGSQRR-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.19
Rot. Bonds5

About N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide

N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 118453383) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
PubChem CID118453383
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC NameN-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESNc1cc(Oc2ccccc2NC(=O)c2c3n(n(-c4ccccc4)c2=O)CCOC3)ccn1
InChIInChI=1S/C24H21N5O4/c25-21-14-17(10-11-26-21)33-20-9-5-4-8-18(20)27-23(30)22-19-15-32-13-12-28(19)29(24(22)31)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,25,26)(H,27,30)
InChIKeyRKJDESNNWGSQRR-UHFFFAOYSA-N
XLogP3.19
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide 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-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 118453383) is N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide is Nc1cc(Oc2ccccc2NC(=O)c2c3n(n(-c4ccccc4)c2=O)CCOC3)ccn1.
What is the InChIKey of N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is RKJDESNNWGSQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c25-21-14-17(10-11-26-21)33-20-9-5-4-8-18(20)27-23(30)22-19-15-32-13-12-28(19)29(24(22)31)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,25,26)(H,27,30).
What are the key properties of N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?
N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 118453383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).