(4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one

C25H22N8O2 — CID 145202694

IUPAC(4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one
SMILESCN1CC(=O)N2c3ccc(Nc4nc(-c5ccc6cn[nH]c6c5)cn5ccnc45)cc3OC[C@H]2C1
InChIInChI=1S/C25H22N8O2/c1-31-11-18-14-35-22-9-17(4-5-21(22)33(18)23(34)13-31)28-24-25-26-6-7-32(25)12-20(29-24)15-2-3-16-10-27-30-19(16)8-15/h2-10,12,18H,11,13-14H2,1H3,(H,27,30)(H,28,29)/t18-/m1/s1
InChIKeyDEVJUFLWCFHSKI-GOSISDBHSA-N
MW466.51 g/mol
LogP3.06
Rot. Bonds3

About (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one

(4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one (PubChem CID 145202694) has the molecular formula C25H22N8O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one.

Molecular Properties

Compound Name(4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one
PubChem CID145202694
Molecular FormulaC25H22N8O2
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC Name(4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one
SMILESCN1CC(=O)N2c3ccc(Nc4nc(-c5ccc6cn[nH]c6c5)cn5ccnc45)cc3OC[C@H]2C1
InChIInChI=1S/C25H22N8O2/c1-31-11-18-14-35-22-9-17(4-5-21(22)33(18)23(34)13-31)28-24-25-26-6-7-32(25)12-20(29-24)15-2-3-16-10-27-30-19(16)8-15/h2-10,12,18H,11,13-14H2,1H3,(H,27,30)(H,28,29)/t18-/m1/s1
InChIKeyDEVJUFLWCFHSKI-GOSISDBHSA-N
XLogP3.06
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one with MolForge

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Related Compounds

N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methylsulfinyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 142373421
(4aS)-N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(oxan-4-yl)-1,2,4,4a,5,6-hexahydropyrazino[2,1-d][1,5]benzoxazepin-9-amine
CID 166930908
(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]pyrrolidin-3-ol
CID 59473382
(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]pyrrolidin-3-ol
CID 59473271
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol
CID 59473477
6-(1H-indazol-6-yl)-N-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 59473339
(3R)-1-[2-ethoxy-4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]pyrrolidin-3-ol
CID 59473647
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-ol
CID 59473526
[(2S)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
CID 59473303
6-(1H-indazol-6-yl)-N-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 141271380
2-ethyl-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol
CID 151695730
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155

Frequently Asked Questions

What is the IUPAC name of (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one?
The IUPAC name of (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one (CID 145202694) is (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one.
What is the SMILES notation for (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one?
The canonical SMILES for (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one is CN1CC(=O)N2c3ccc(Nc4nc(-c5ccc6cn[nH]c6c5)cn5ccnc45)cc3OC[C@H]2C1.
What is the InChIKey of (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one?
The InChIKey is DEVJUFLWCFHSKI-GOSISDBHSA-N. The full InChI is InChI=1S/C25H22N8O2/c1-31-11-18-14-35-22-9-17(4-5-21(22)33(18)23(34)13-31)28-24-25-26-6-7-32(25)12-20(29-24)15-2-3-16-10-27-30-19(16)8-15/h2-10,12,18H,11,13-14H2,1H3,(H,27,30)(H,28,29)/t18-/m1/s1.
What are the key properties of (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one?
(4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one has a molecular weight of 466.51 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-8-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 145202694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).