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

C25H26N7O+ — CID 89387365

IUPAC4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide
SMILESN[N+]12C=CN=CC1=C(C1CC13CCNCC3)N=C2c1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C25H25N7O/c26-32-14-13-28-16-20(32)22(19-15-25(19)8-11-27-12-9-25)31-23(32)17-4-6-18(7-5-17)24(33)30-21-3-1-2-10-29-21/h1-7,10,13-14,16,19,27H,8-9,11-12,15,26H2/p+1
InChIKeyRBKMYNJDQBMIHQ-UHFFFAOYSA-O
MW440.53 g/mol
LogP2.94
Rot. Bonds4

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

4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide (PubChem CID 89387365) has the molecular formula C25H26N7O+ and a molecular weight of 440.53 g/mol. Its IUPAC name is 4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide
PubChem CID89387365
Molecular FormulaC25H26N7O+
Molecular Weight440.53 g/mol
Exact Mass440.22
IUPAC Name4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide
SMILESN[N+]12C=CN=CC1=C(C1CC13CCNCC3)N=C2c1ccc(C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C25H25N7O/c26-32-14-13-28-16-20(32)22(19-15-25(19)8-11-27-12-9-25)31-23(32)17-4-6-18(7-5-17)24(33)30-21-3-1-2-10-29-21/h1-7,10,13-14,16,19,27H,8-9,11-12,15,26H2/p+1
InChIKeyRBKMYNJDQBMIHQ-UHFFFAOYSA-O
XLogP2.94
TPSA104.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-amino-1-[(6S,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide
CID 90283305
4-[4-amino-1-[1-[(E)-4-methoxybut-2-enoyl]azepan-2-yl]imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide
CID 89389630
4-[4-amino-1-[1-(2-cyano-2-methylpropanoyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide
CID 89387449
4-[4-amino-1-[7-(oxolane-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide
CID 89387667
4-(4-amino-1-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide
CID 90186116
4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide
CID 89389147
4-[4-amino-1-[[[(E)-4-methoxybut-2-enoyl]amino]methyl]imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide
CID 89389004
4-(4-amino-1-thiomorpholin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 89387574
4-[4-amino-1-[[[(E)-4-methoxybut-2-enyl]amino]methyl]imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide
CID 118025662
4-[4-amino-1-(oxolan-3-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-cyano-2-pyridinyl)benzamide
CID 89387520
4-[4-amino-1-[1-[(E)-4-methoxybut-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyrimidin-2-ylbenzamide
CID 90186263
4-[4-amino-1-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 89389595

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide (CID 89387365) is 4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide is N[N+]12C=CN=CC1=C(C1CC13CCNCC3)N=C2c1ccc(C(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is RBKMYNJDQBMIHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H25N7O/c26-32-14-13-28-16-20(32)22(19-15-25(19)8-11-27-12-9-25)31-23(32)17-4-6-18(7-5-17)24(33)30-21-3-1-2-10-29-21/h1-7,10,13-14,16,19,27H,8-9,11-12,15,26H2/p+1.
What are the key properties of 4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide?
4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 440.53 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-1-(6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 89387365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).