6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine

C26H29FN8O2 — CID 72694959

IUPAC6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCN(C)C(CF)C1
InChIInChI=1S/C26H29FN8O2/c1-33-8-9-34(15-19(33)13-27)22-4-3-18(12-23(22)36-2)31-24-25-29-5-7-35(25)16-21(32-24)17-11-20-26(30-14-17)37-10-6-28-20/h3-5,7,11-12,14,16,19,28H,6,8-10,13,15H2,1-2H3,(H,31,32)
InChIKeyVWKVGRIOANZXPC-UHFFFAOYSA-N
MW504.57 g/mol
LogP3.44
Rot. Bonds6

About 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine

6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 72694959) has the molecular formula C26H29FN8O2 and a molecular weight of 504.57 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID72694959
Molecular FormulaC26H29FN8O2
Molecular Weight504.57 g/mol
Exact Mass504.24
IUPAC Name6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCN(C)C(CF)C1
InChIInChI=1S/C26H29FN8O2/c1-33-8-9-34(15-19(33)13-27)22-4-3-18(12-23(22)36-2)31-24-25-29-5-7-35(25)16-21(32-24)17-11-20-26(30-14-17)37-10-6-28-20/h3-5,7,11-12,14,16,19,28H,6,8-10,13,15H2,1-2H3,(H,31,32)
InChIKeyVWKVGRIOANZXPC-UHFFFAOYSA-N
XLogP3.44
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AZ4800
CID 50996844
8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
N2-(4-(4-isopropylpiperazin-1-yl)-2-methoxyphenyl)-N4-(quinolin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 44581765
AZ191
CID 72716071
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
6-N-cyclohexyl-2-N-(2-ethoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 46927301
4-[6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
CID 56648951
7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one
CID 146316064
Pruvonertinib
CID 154593283

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine (CID 72694959) is 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCN(C)C(CF)C1.
What is the InChIKey of 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is VWKVGRIOANZXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O2/c1-33-8-9-34(15-19(33)13-27)22-4-3-18(12-23(22)36-2)31-24-25-29-5-7-35(25)16-21(32-24)17-11-20-26(30-14-17)37-10-6-28-20/h3-5,7,11-12,14,16,19,28H,6,8-10,13,15H2,1-2H3,(H,31,32).
What are the key properties of 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine?
6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 504.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 72694959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).