[4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone

C19H17IN6OS — CID 66738508

IUPAC[4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccc5ncsc5c4)CC3)nc(I)c12
InChIInChI=1S/C19H17IN6OS/c20-16-15-17(21)22-5-8-26(15)18(24-16)11-3-6-25(7-4-11)19(27)12-1-2-13-14(9-12)28-10-23-13/h1-2,5,8-11H,3-4,6-7H2,(H2,21,22)
InChIKeyLIDRZEPUKKXJBU-UHFFFAOYSA-N
MW504.36 g/mol
LogP3.55
Rot. Bonds2

About [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone

[4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone (PubChem CID 66738508) has the molecular formula C19H17IN6OS and a molecular weight of 504.36 g/mol. Its IUPAC name is [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone.

Molecular Properties

Compound Name[4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone
PubChem CID66738508
Molecular FormulaC19H17IN6OS
Molecular Weight504.36 g/mol
Exact Mass504.02
IUPAC Name[4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccc5ncsc5c4)CC3)nc(I)c12
InChIInChI=1S/C19H17IN6OS/c20-16-15-17(21)22-5-8-26(15)18(24-16)11-3-6-25(7-4-11)19(27)12-1-2-13-14(9-12)28-10-23-13/h1-2,5,8-11H,3-4,6-7H2,(H2,21,22)
InChIKeyLIDRZEPUKKXJBU-UHFFFAOYSA-N
XLogP3.55
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone?
The IUPAC name of [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone (CID 66738508) is [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone.
What is the SMILES notation for [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone?
The canonical SMILES for [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone is Nc1nccn2c(C3CCN(C(=O)c4ccc5ncsc5c4)CC3)nc(I)c12.
What is the InChIKey of [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone?
The InChIKey is LIDRZEPUKKXJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN6OS/c20-16-15-17(21)22-5-8-26(15)18(24-16)11-3-6-25(7-4-11)19(27)12-1-2-13-14(9-12)28-10-23-13/h1-2,5,8-11H,3-4,6-7H2,(H2,21,22).
What are the key properties of [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone?
[4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone has a molecular weight of 504.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 66738508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).