3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide

C26H36N6O3 — CID 155781053

IUPAC3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)(CO)Nc1cnc(C(=O)Nc2cccc(N3CCOCC3)c2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C26H36N6O3/c1-25(2,18-33)30-21-17-27-22(23(29-21)32-10-8-26(6-7-26)9-11-32)24(34)28-19-4-3-5-20(16-19)31-12-14-35-15-13-31/h3-5,16-17,33H,6-15,18H2,1-2H3,(H,28,34)(H,29,30)
InChIKeyFGIHTGGSNINAOD-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.13
Rot. Bonds7

About 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide

3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide (PubChem CID 155781053) has the molecular formula C26H36N6O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide
PubChem CID155781053
Molecular FormulaC26H36N6O3
Molecular Weight480.61 g/mol
Exact Mass480.28
IUPAC Name3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide
SMILESCC(C)(CO)Nc1cnc(C(=O)Nc2cccc(N3CCOCC3)c2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C26H36N6O3/c1-25(2,18-33)30-21-17-27-22(23(29-21)32-10-8-26(6-7-26)9-11-32)24(34)28-19-4-3-5-20(16-19)31-12-14-35-15-13-31/h3-5,16-17,33H,6-15,18H2,1-2H3,(H,28,34)(H,29,30)
InChIKeyFGIHTGGSNINAOD-UHFFFAOYSA-N
XLogP3.13
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide (CID 155781053) is 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide is CC(C)(CO)Nc1cnc(C(=O)Nc2cccc(N3CCOCC3)c2)c(N2CCC3(CC2)CC3)n1.
What is the InChIKey of 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is FGIHTGGSNINAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O3/c1-25(2,18-33)30-21-17-27-22(23(29-21)32-10-8-26(6-7-26)9-11-32)24(34)28-19-4-3-5-20(16-19)31-12-14-35-15-13-31/h3-5,16-17,33H,6-15,18H2,1-2H3,(H,28,34)(H,29,30).
What are the key properties of 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 155781053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).