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

C25H27N7O3 — CID 90028354

IUPAC6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCCOCC1
InChIInChI=1S/C25H27N7O3/c1-33-22-14-18(3-4-21(22)31-7-2-10-34-12-9-31)29-23-24-27-5-8-32(24)16-20(30-23)17-13-19-25(28-15-17)35-11-6-26-19/h3-5,8,13-16,26H,2,6-7,9-12H2,1H3,(H,29,30)
InChIKeyMULJNKHKYXMEIV-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.57
Rot. Bonds5

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

6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 90028354) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]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-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID90028354
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCCOCC1
InChIInChI=1S/C25H27N7O3/c1-33-22-14-18(3-4-21(22)31-7-2-10-34-12-9-31)29-23-24-27-5-8-32(24)16-20(30-23)17-13-19-25(28-15-17)35-11-6-26-19/h3-5,8,13-16,26H,2,6-7,9-12H2,1H3,(H,29,30)
InChIKeyMULJNKHKYXMEIV-UHFFFAOYSA-N
XLogP3.57
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.57
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-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine with MolForge

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Related Compounds

6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695668
1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one
CID 72695171
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 148686575
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(3-methoxy-4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 91489187
7-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 72695166
7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-5-one
CID 72694449
N-(3-methoxy-4-morpholin-4-ylphenyl)-6-[5-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 59473561
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
CID 162098947
N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine
CID 72695864
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695669
7-[8-[4-[2-(hydroxymethyl)morpholin-4-yl]-3-methoxyanilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-5-one
CID 72694450
[4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
CID 158934113

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]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-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 90028354) is 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]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-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]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-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCCOCC1.
What is the InChIKey of 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is MULJNKHKYXMEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-33-22-14-18(3-4-21(22)31-7-2-10-34-12-9-31)29-23-24-27-5-8-32(24)16-20(30-23)17-13-19-25(28-15-17)35-11-6-26-19/h3-5,8,13-16,26H,2,6-7,9-12H2,1H3,(H,29,30).
What are the key properties of 6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 473.54 g/mol, XLogP of 3.57, 5 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-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 90028354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).