3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide

C15H16N8OS — CID 143465275

IUPAC3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1cc(Nc2nc(C(N)=O)cn3c(C4=CN(C)NC4)cnc23)sn1
InChIInChI=1S/C15H16N8OS/c1-8-3-12(25-21-8)20-14-15-17-5-11(9-4-18-22(2)6-9)23(15)7-10(19-14)13(16)24/h3,5-7,18H,4H2,1-2H3,(H2,16,24)(H,19,20)
InChIKeyMBUVEZKMNJKZDT-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.13
Rot. Bonds4

About 3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide

3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 143465275) has the molecular formula C15H16N8OS and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID143465275
Molecular FormulaC15H16N8OS
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1cc(Nc2nc(C(N)=O)cn3c(C4=CN(C)NC4)cnc23)sn1
InChIInChI=1S/C15H16N8OS/c1-8-3-12(25-21-8)20-14-15-17-5-11(9-4-18-22(2)6-9)23(15)7-10(19-14)13(16)24/h3,5-7,18H,4H2,1-2H3,(H2,16,24)(H,19,20)
InChIKeyMBUVEZKMNJKZDT-UHFFFAOYSA-N
XLogP1.13
TPSA113.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 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) is 3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide is Cc1cc(Nc2nc(C(N)=O)cn3c(C4=CN(C)NC4)cnc23)sn1.
What is the InChIKey of 3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is MBUVEZKMNJKZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8OS/c1-8-3-12(25-21-8)20-14-15-17-5-11(9-4-18-22(2)6-9)23(15)7-10(19-14)13(16)24/h3,5-7,18H,4H2,1-2H3,(H2,16,24)(H,19,20).
What are the key properties of 3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide?
3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 143465275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).