4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

C26H27N7O — CID 144510125

IUPAC4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
SMILESCN1CCC2(CC1)CC2c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12
InChIInChI=1S/C26H27N7O/c1-32-13-9-26(10-14-32)16-19(26)24-31-21(22-23(27)29-12-15-33(22)24)17-5-7-18(8-6-17)25(34)30-20-4-2-3-11-28-20/h2-8,11-12,15,19H,9-10,13-14,16H2,1H3,(H2,27,29)(H,28,30,34)
InChIKeyXJQAQWVVWFCQNZ-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.83
Rot. Bonds4

About 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (PubChem CID 144510125) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
PubChem CID144510125
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
SMILESCN1CCC2(CC1)CC2c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12
InChIInChI=1S/C26H27N7O/c1-32-13-9-26(10-14-32)16-19(26)24-31-21(22-23(27)29-12-15-33(22)24)17-5-7-18(8-6-17)25(34)30-20-4-2-3-11-28-20/h2-8,11-12,15,19H,9-10,13-14,16H2,1H3,(H2,27,29)(H,28,30,34)
InChIKeyXJQAQWVVWFCQNZ-UHFFFAOYSA-N
XLogP3.83
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide with MolForge

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Related Compounds

4-[8-amino-3-[6-(2-methylpropanoyl)-6-azaspiro[2.5]octan-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71222832
4-[8-amino-3-[(2S)-1-but-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 123914394
4-[8-amino-3-[(2S)-1-[(E)-but-2-enoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71607919
tert-butyl 6-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 146177048
4-[8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71226663
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;sulfane
CID 165008323
4-[8-amino-3-[(6S)-5-(2-cyanoacetyl)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 135254844
4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71225955
4-[8-amino-3-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 139581779
4-[8-amino-3-(aminomethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71226567
4-[8-amino-3-[(3R,6S)-1-(2-cyclopropylacetyl)-6-methylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71223170
4-[8-amino-3-[(6S)-5-[(E)-4-methyl-2-nitrosopent-2-enoyl]-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 135254735

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (CID 144510125) is 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is CN1CCC2(CC1)CC2c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.
What is the InChIKey of 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is XJQAQWVVWFCQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-32-13-9-26(10-14-32)16-19(26)24-31-21(22-23(27)29-12-15-33(22)24)17-5-7-18(8-6-17)25(34)30-20-4-2-3-11-28-20/h2-8,11-12,15,19H,9-10,13-14,16H2,1H3,(H2,27,29)(H,28,30,34).
What are the key properties of 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 453.55 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 144510125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).