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

C19H22N8S — CID 136595809

IUPAC(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine
SMILESCc1cc(/N=C2/NC(C3=CCCNC3)=CN3C2=NCC3c2cnn(C)c2)sn1
InChIInChI=1S/C19H22N8S/c1-12-6-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)13-4-3-5-20-7-13/h4,6,8,10-11,16,20H,3,5,7,9H2,1-2H3,(H,23,24)
InChIKeyXYRPLPRRTNWWNF-UHFFFAOYSA-N
MW394.51 g/mol
LogP2.03
Rot. Bonds3

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

(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine (PubChem CID 136595809) has the molecular formula C19H22N8S and a molecular weight of 394.51 g/mol. Its IUPAC name is (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine.

Molecular Properties

Compound Name(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine
PubChem CID136595809
Molecular FormulaC19H22N8S
Molecular Weight394.51 g/mol
Exact Mass394.17
IUPAC Name(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine
SMILESCc1cc(/N=C2/NC(C3=CCCNC3)=CN3C2=NCC3c2cnn(C)c2)sn1
InChIInChI=1S/C19H22N8S/c1-12-6-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)13-4-3-5-20-7-13/h4,6,8,10-11,16,20H,3,5,7,9H2,1-2H3,(H,23,24)
InChIKeyXYRPLPRRTNWWNF-UHFFFAOYSA-N
XLogP2.03
TPSA82.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

3-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 67582856
N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine
CID 70989938
N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 70989939
3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 71195330
N-methyl-2-[(1E)-6-(1-methylpyrazol-4-yl)-1-[(3-methyl-1,2-thiazol-5-yl)imino]-8,9-dihydro-2H-pyrazino[1,2-a]azepin-3-yl]ethanamine
CID 143460797
N-[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 143460867
(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine
CID 143460948
N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 143460964
2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine
CID 143461060
(E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine
CID 143464839
(E)-6-chloro-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-3-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine
CID 143465099
(E)-3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-imine
CID 143465198

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine?
The IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine (CID 136595809) is (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine.
What is the SMILES notation for (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine?
The canonical SMILES for (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine is Cc1cc(/N=C2/NC(C3=CCCNC3)=CN3C2=NCC3c2cnn(C)c2)sn1.
What is the InChIKey of (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine?
The InChIKey is XYRPLPRRTNWWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8S/c1-12-6-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)13-4-3-5-20-7-13/h4,6,8,10-11,16,20H,3,5,7,9H2,1-2H3,(H,23,24).
What are the key properties of (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine?
(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine has a molecular weight of 394.51 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine is sourced from PubChem (CID 136595809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).