3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C23H31N7S — CID 143756478

IUPAC3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCCCCC(CCCC)Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C23H31N7S/c1-4-6-8-17(9-7-5-2)10-19-11-21(31-29-19)28-22-23-24-14-20(18-12-25-26-13-18)30(23)15-16(3)27-22/h11-15,17H,4-10H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyWJMWCYJPTJRMJM-UHFFFAOYSA-N
MW437.62 g/mol
LogP6.17
Rot. Bonds11

About 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 143756478) has the molecular formula C23H31N7S and a molecular weight of 437.62 g/mol. Its IUPAC name is 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID143756478
Molecular FormulaC23H31N7S
Molecular Weight437.62 g/mol
Exact Mass437.24
IUPAC Name3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCCCCC(CCCC)Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C23H31N7S/c1-4-6-8-17(9-7-5-2)10-19-11-21(31-29-19)28-22-23-24-14-20(18-12-25-26-13-18)30(23)15-16(3)27-22/h11-15,17H,4-10H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyWJMWCYJPTJRMJM-UHFFFAOYSA-N
XLogP6.17
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.62
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 143756478) is 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CCCCC(CCCC)Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is WJMWCYJPTJRMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7S/c1-4-6-8-17(9-7-5-2)10-19-11-21(31-29-19)28-22-23-24-14-20(18-12-25-26-13-18)30(23)15-16(3)27-22/h11-15,17H,4-10H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 437.62 g/mol, XLogP of 6.17, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylhexyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 143756478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).