2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine

C22H19N7O — CID 151764517

IUPAC2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
SMILESNc1ccc2c(c1)NCCC(c1nc(-c3ccc4cn[nH]c4c3)cn3ccnc13)O2
InChIInChI=1S/C22H19N7O/c23-15-3-4-19-17(10-15)24-6-5-20(30-19)21-22-25-7-8-29(22)12-18(27-21)13-1-2-14-11-26-28-16(14)9-13/h1-4,7-12,20,24H,5-6,23H2,(H,26,28)
InChIKeyRRGXDWYYDHESFT-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.79
Rot. Bonds2

About 2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine

2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine (PubChem CID 151764517) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine.

Molecular Properties

Compound Name2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
PubChem CID151764517
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
SMILESNc1ccc2c(c1)NCCC(c1nc(-c3ccc4cn[nH]c4c3)cn3ccnc13)O2
InChIInChI=1S/C22H19N7O/c23-15-3-4-19-17(10-15)24-6-5-20(30-19)21-22-25-7-8-29(22)12-18(27-21)13-1-2-14-11-26-28-16(14)9-13/h1-4,7-12,20,24H,5-6,23H2,(H,26,28)
InChIKeyRRGXDWYYDHESFT-UHFFFAOYSA-N
XLogP3.79
TPSA106.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine?
The IUPAC name of 2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine (CID 151764517) is 2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine.
What is the SMILES notation for 2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine?
The canonical SMILES for 2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine is Nc1ccc2c(c1)NCCC(c1nc(-c3ccc4cn[nH]c4c3)cn3ccnc13)O2.
What is the InChIKey of 2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine?
The InChIKey is RRGXDWYYDHESFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c23-15-3-4-19-17(10-15)24-6-5-20(30-19)21-22-25-7-8-29(22)12-18(27-21)13-1-2-14-11-26-28-16(14)9-13/h1-4,7-12,20,24H,5-6,23H2,(H,26,28).
What are the key properties of 2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine?
2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine has a molecular weight of 397.44 g/mol, XLogP of 3.79, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine is sourced from PubChem (CID 151764517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).