4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide

C18H20N8OS — CID 58364896

IUPAC4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide
SMILESCc1cc(Nc2nc(CCCC(N)=O)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C18H20N8OS/c1-11-6-16(28-24-11)23-17-18-20-8-14(12-7-21-25(2)9-12)26(18)10-13(22-17)4-3-5-15(19)27/h6-10H,3-5H2,1-2H3,(H2,19,27)(H,22,23)
InChIKeyIIVXJNWLICKBFR-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.45
Rot. Bonds7

About 4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide

4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide (PubChem CID 58364896) has the molecular formula C18H20N8OS and a molecular weight of 396.48 g/mol. Its IUPAC name is 4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide.

Molecular Properties

Compound Name4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide
PubChem CID58364896
Molecular FormulaC18H20N8OS
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC Name4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide
SMILESCc1cc(Nc2nc(CCCC(N)=O)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C18H20N8OS/c1-11-6-16(28-24-11)23-17-18-20-8-14(12-7-21-25(2)9-12)26(18)10-13(22-17)4-3-5-15(19)27/h6-10H,3-5H2,1-2H3,(H2,19,27)(H,22,23)
InChIKeyIIVXJNWLICKBFR-UHFFFAOYSA-N
XLogP2.45
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 58873979
N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-(3,6-dibromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,2-thiazol-5-amine
CID 157371798
3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25094328
4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide
CID 58874073
3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide
CID 143465275
3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58873815
3-tert-butyl-N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58364934
N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane
CID 143670531
N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 143465045
N-[3-(5-ethyl-1H-pyrrol-3-yl)-6-(4-methoxyphenyl)sulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 143670529
1-(azepan-1-yl)-2-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]ethanone
CID 71044825
N-[2-[4-[8-[[3-[[butyl(ethyl)amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]-2,3-difluorobenzamide
CID 143756902

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide?
The IUPAC name of 4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide (CID 58364896) is 4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide.
What is the SMILES notation for 4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide?
The canonical SMILES for 4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide is Cc1cc(Nc2nc(CCCC(N)=O)cn3c(-c4cnn(C)c4)cnc23)sn1.
What is the InChIKey of 4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide?
The InChIKey is IIVXJNWLICKBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8OS/c1-11-6-16(28-24-11)23-17-18-20-8-14(12-7-21-25(2)9-12)26(18)10-13(22-17)4-3-5-15(19)27/h6-10H,3-5H2,1-2H3,(H2,19,27)(H,22,23).
What are the key properties of 4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide?
4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide has a molecular weight of 396.48 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]butanamide is sourced from PubChem (CID 58364896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).