7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one

C23H21N7O3 — CID 59473240

IUPAC7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESCC1(O)CN(c2ccc(Nc3nc(-c4cnc5c(c4)NC(=O)CO5)cn4ccnc34)cc2)C1
InChIInChI=1S/C23H21N7O3/c1-23(32)12-30(13-23)16-4-2-15(3-5-16)26-20-21-24-6-7-29(21)10-18(28-20)14-8-17-22(25-9-14)33-11-19(31)27-17/h2-10,32H,11-13H2,1H3,(H,26,28)(H,27,31)
InChIKeyHROWVVDZYUXDKS-UHFFFAOYSA-N
MW443.47 g/mol
LogP2.44
Rot. Bonds4

About 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one

7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 59473240) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID59473240
Molecular FormulaC23H21N7O3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESCC1(O)CN(c2ccc(Nc3nc(-c4cnc5c(c4)NC(=O)CO5)cn4ccnc34)cc2)C1
InChIInChI=1S/C23H21N7O3/c1-23(32)12-30(13-23)16-4-2-15(3-5-16)26-20-21-24-6-7-29(21)10-18(28-20)14-8-17-22(25-9-14)33-11-19(31)27-17/h2-10,32H,11-13H2,1H3,(H,26,28)(H,27,31)
InChIKeyHROWVVDZYUXDKS-UHFFFAOYSA-N
XLogP2.44
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one 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 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 59473240) is 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one is CC1(O)CN(c2ccc(Nc3nc(-c4cnc5c(c4)NC(=O)CO5)cn4ccnc34)cc2)C1.
What is the InChIKey of 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is HROWVVDZYUXDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c1-23(32)12-30(13-23)16-4-2-15(3-5-16)26-20-21-24-6-7-29(21)10-18(28-20)14-8-17-22(25-9-14)33-11-19(31)27-17/h2-10,32H,11-13H2,1H3,(H,26,28)(H,27,31).
What are the key properties of 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one?
7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 443.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 59473240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).