(5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine

C26H33N7O — CID 142556922

IUPAC(5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine
SMILESCN[C@]1(c2ccc3cnn(-c4cc(N5CCN6CCOC[C@@H]6C5)ncn4)c3c2)CC2(CC2)[C@@H]1C
InChIInChI=1S/C26H33N7O/c1-18-25(5-6-25)16-26(18,27-2)20-4-3-19-13-30-33(22(19)11-20)24-12-23(28-17-29-24)32-8-7-31-9-10-34-15-21(31)14-32/h3-4,11-13,17-18,21,27H,5-10,14-16H2,1-2H3/t18-,21-,26+/m0/s1
InChIKeyFJYTUYPEORIPHK-RKVCDUFXSA-N
MW459.60 g/mol
LogP2.57
Rot. Bonds4

About (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine

(5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine (PubChem CID 142556922) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine.

Molecular Properties

Compound Name(5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine
PubChem CID142556922
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name(5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine
SMILESCN[C@]1(c2ccc3cnn(-c4cc(N5CCN6CCOC[C@@H]6C5)ncn4)c3c2)CC2(CC2)[C@@H]1C
InChIInChI=1S/C26H33N7O/c1-18-25(5-6-25)16-26(18,27-2)20-4-3-19-13-30-33(22(19)11-20)24-12-23(28-17-29-24)32-8-7-31-9-10-34-15-21(31)14-32/h3-4,11-13,17-18,21,27H,5-10,14-16H2,1-2H3/t18-,21-,26+/m0/s1
InChIKeyFJYTUYPEORIPHK-RKVCDUFXSA-N
XLogP2.57
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine?
The IUPAC name of (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine (CID 142556922) is (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine.
What is the SMILES notation for (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine?
The canonical SMILES for (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine is CN[C@]1(c2ccc3cnn(-c4cc(N5CCN6CCOC[C@@H]6C5)ncn4)c3c2)CC2(CC2)[C@@H]1C.
What is the InChIKey of (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine?
The InChIKey is FJYTUYPEORIPHK-RKVCDUFXSA-N. The full InChI is InChI=1S/C26H33N7O/c1-18-25(5-6-25)16-26(18,27-2)20-4-3-19-13-30-33(22(19)11-20)24-12-23(28-17-29-24)32-8-7-31-9-10-34-15-21(31)14-32/h3-4,11-13,17-18,21,27H,5-10,14-16H2,1-2H3/t18-,21-,26+/m0/s1.
What are the key properties of (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine?
(5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine has a molecular weight of 459.60 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[1-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrimidin-4-yl]indazol-6-yl]-N,6-dimethylspiro[2.3]hexan-5-amine is sourced from PubChem (CID 142556922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).