3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine

C19H24N8S — CID 173468857

IUPAC3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine
SMILESCc1cc(N=C2NC(C3CCNCC3)=CN3C2=NCC3c2cnn(C)c2)sn1
InChIInChI=1S/C19H24N8S/c1-12-7-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)13-3-5-20-6-4-13/h7-8,10-11,13,16,20H,3-6,9H2,1-2H3,(H,23,24)
InChIKeyNAMJEMRTRNZUAS-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.11
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine

3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine (PubChem CID 173468857) has the molecular formula C19H24N8S and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine
PubChem CID173468857
Molecular FormulaC19H24N8S
Molecular Weight396.52 g/mol
Exact Mass396.18
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine
SMILESCc1cc(N=C2NC(C3CCNCC3)=CN3C2=NCC3c2cnn(C)c2)sn1
InChIInChI=1S/C19H24N8S/c1-12-7-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)13-3-5-20-6-4-13/h7-8,10-11,13,16,20H,3-6,9H2,1-2H3,(H,23,24)
InChIKeyNAMJEMRTRNZUAS-UHFFFAOYSA-N
XLogP2.11
TPSA82.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine (CID 173468857) is 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine is Cc1cc(N=C2NC(C3CCNCC3)=CN3C2=NCC3c2cnn(C)c2)sn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine?
The InChIKey is NAMJEMRTRNZUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8S/c1-12-7-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)13-3-5-20-6-4-13/h7-8,10-11,13,16,20H,3-6,9H2,1-2H3,(H,23,24).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine?
3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine has a molecular weight of 396.52 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-piperidin-4-yl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine is sourced from PubChem (CID 173468857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).