N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine

C28H24N8OS — CID 142373503

IUPACN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc4c(c3)OCC3CN(c5ccsc5)CCN43)c2n1
InChIInChI=1S/C28H24N8OS/c1-2-19-13-30-33-23(19)11-18(1)24-15-35-7-6-29-28(35)27(32-24)31-20-3-4-25-26(12-20)37-16-22-14-34(8-9-36(22)25)21-5-10-38-17-21/h1-7,10-13,15,17,22H,8-9,14,16H2,(H,30,33)(H,31,32)
InChIKeyMFMHKPDJZJSFBK-UHFFFAOYSA-N
MW520.62 g/mol
LogP5.17
Rot. Bonds4

About N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine

N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine (PubChem CID 142373503) has the molecular formula C28H24N8OS and a molecular weight of 520.62 g/mol. Its IUPAC name is N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine.

Molecular Properties

Compound NameN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
PubChem CID142373503
Molecular FormulaC28H24N8OS
Molecular Weight520.62 g/mol
Exact Mass520.18
IUPAC NameN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc4c(c3)OCC3CN(c5ccsc5)CCN43)c2n1
InChIInChI=1S/C28H24N8OS/c1-2-19-13-30-33-23(19)11-18(1)24-15-35-7-6-29-28(35)27(32-24)31-20-3-4-25-26(12-20)37-16-22-14-34(8-9-36(22)25)21-5-10-38-17-21/h1-7,10-13,15,17,22H,8-9,14,16H2,(H,30,33)(H,31,32)
InChIKeyMFMHKPDJZJSFBK-UHFFFAOYSA-N
XLogP5.17
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.62
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
The IUPAC name of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine (CID 142373503) is N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine.
What is the SMILES notation for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
The canonical SMILES for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine is c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc4c(c3)OCC3CN(c5ccsc5)CCN43)c2n1.
What is the InChIKey of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
The InChIKey is MFMHKPDJZJSFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8OS/c1-2-19-13-30-33-23(19)11-18(1)24-15-35-7-6-29-28(35)27(32-24)31-20-3-4-25-26(12-20)37-16-22-14-34(8-9-36(22)25)21-5-10-38-17-21/h1-7,10-13,15,17,22H,8-9,14,16H2,(H,30,33)(H,31,32).
What are the key properties of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine?
N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine has a molecular weight of 520.62 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-thiophen-3-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine is sourced from PubChem (CID 142373503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).