(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

C30H32N8O2 — CID 166930908

IUPAC(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
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc4c(c3)OCC[C@H]3CN(C5CCOCC5)CCN43)c2n1
InChIInChI=1S/C30H32N8O2/c1-2-21-17-32-35-25(21)15-20(1)26-19-37-9-8-31-30(37)29(34-26)33-22-3-4-27-28(16-22)40-14-7-24-18-36(10-11-38(24)27)23-5-12-39-13-6-23/h1-4,8-9,15-17,19,23-24H,5-7,10-14,18H2,(H,32,35)(H,33,34)/t24-/m0/s1
InChIKeyXDDOVHMGEAWTHO-DEOSSOPVSA-N
MW536.64 g/mol
LogP4.47
Rot. Bonds4

About (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

(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 (PubChem CID 166930908) has the molecular formula C30H32N8O2 and a molecular weight of 536.64 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166930908
Molecular FormulaC30H32N8O2
Molecular Weight536.64 g/mol
Exact Mass536.26
IUPAC Name(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
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc4c(c3)OCC[C@H]3CN(C5CCOCC5)CCN43)c2n1
InChIInChI=1S/C30H32N8O2/c1-2-21-17-32-35-25(21)15-20(1)26-19-37-9-8-31-30(37)29(34-26)33-22-3-4-27-28(16-22)40-14-7-24-18-36(10-11-38(24)27)23-5-12-39-13-6-23/h1-4,8-9,15-17,19,23-24H,5-7,10-14,18H2,(H,32,35)(H,33,34)/t24-/m0/s1
InChIKeyXDDOVHMGEAWTHO-DEOSSOPVSA-N
XLogP4.47
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.64
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (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 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

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
(4aR)-N-[6-(3-amino-4-methanimidoylphenyl)imidazo[1,2-a]pyrazin-8-yl]-3-(oxan-4-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;ethane
CID 142373368
(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
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-ol
CID 59473526
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
(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
(3S)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-3-ol
CID 59473119
[(2R)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 59473129
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-ol
CID 59473477
[(2S)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
CID 59473303

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc4c(c3)OCC[C@H]3CN(C5CCOCC5)CCN43)c2n1.
What is the InChIKey of (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?
The InChIKey is XDDOVHMGEAWTHO-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H32N8O2/c1-2-21-17-32-35-25(21)15-20(1)26-19-37-9-8-31-30(37)29(34-26)33-22-3-4-27-28(16-22)40-14-7-24-18-36(10-11-38(24)27)23-5-12-39-13-6-23/h1-4,8-9,15-17,19,23-24H,5-7,10-14,18H2,(H,32,35)(H,33,34)/t24-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 536.64 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166930908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).