4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide

C23H23FN7O+ — CID 89389147

IUPAC4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide
SMILESN[N+]12C=CN=CC1=C(C1CCCCN1)N=C2c1ccc(C(=O)Nc2cc(F)ccn2)cc1
InChIInChI=1S/C23H22FN7O/c24-17-8-10-28-20(13-17)29-23(32)16-6-4-15(5-7-16)22-30-21(18-3-1-2-9-27-18)19-14-26-11-12-31(19,22)25/h4-8,10-14,18,27H,1-3,9,25H2/p+1
InChIKeyXCLKSQDFFSSZMK-UHFFFAOYSA-O
MW432.48 g/mol
LogP2.83
Rot. Bonds4

About 4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide

4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide (PubChem CID 89389147) has the molecular formula C23H23FN7O+ and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide
PubChem CID89389147
Molecular FormulaC23H23FN7O+
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide
SMILESN[N+]12C=CN=CC1=C(C1CCCCN1)N=C2c1ccc(C(=O)Nc2cc(F)ccn2)cc1
InChIInChI=1S/C23H22FN7O/c24-17-8-10-28-20(13-17)29-23(32)16-6-4-15(5-7-16)22-30-21(18-3-1-2-9-27-18)19-14-26-11-12-31(19,22)25/h4-8,10-14,18,27H,1-3,9,25H2/p+1
InChIKeyXCLKSQDFFSSZMK-UHFFFAOYSA-O
XLogP2.83
TPSA104.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide (CID 89389147) is 4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide is N[N+]12C=CN=CC1=C(C1CCCCN1)N=C2c1ccc(C(=O)Nc2cc(F)ccn2)cc1.
What is the InChIKey of 4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide?
The InChIKey is XCLKSQDFFSSZMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22FN7O/c24-17-8-10-28-20(13-17)29-23(32)16-6-4-15(5-7-16)22-30-21(18-3-1-2-9-27-18)19-14-26-11-12-31(19,22)25/h4-8,10-14,18,27H,1-3,9,25H2/p+1.
What are the key properties of 4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide?
4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide has a molecular weight of 432.48 g/mol, XLogP of 2.83, 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-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 89389147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).