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

C14H10N8S — CID 56662926

IUPAC8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile
SMILESCc1cc(Nc2nc(C#N)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C14H10N8S/c1-8-2-12(23-21-8)20-13-14-16-6-11(9-4-17-18-5-9)22(14)7-10(3-15)19-13/h2,4-7H,1H3,(H,17,18)(H,19,20)
InChIKeyUCKMYULEGLLJLE-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.50
Rot. Bonds3

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

8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile (PubChem CID 56662926) has the molecular formula C14H10N8S and a molecular weight of 322.36 g/mol. Its IUPAC name is 8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile.

Molecular Properties

Compound Name8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile
PubChem CID56662926
Molecular FormulaC14H10N8S
Molecular Weight322.36 g/mol
Exact Mass322.07
IUPAC Name8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile
SMILESCc1cc(Nc2nc(C#N)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C14H10N8S/c1-8-2-12(23-21-8)20-13-14-16-6-11(9-4-17-18-5-9)22(14)7-10(3-15)19-13/h2,4-7H,1H3,(H,17,18)(H,19,20)
InChIKeyUCKMYULEGLLJLE-UHFFFAOYSA-N
XLogP2.50
TPSA107.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile 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 8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile?
The IUPAC name of 8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile (CID 56662926) is 8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile.
What is the SMILES notation for 8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile?
The canonical SMILES for 8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile is Cc1cc(Nc2nc(C#N)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile?
The InChIKey is UCKMYULEGLLJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N8S/c1-8-2-12(23-21-8)20-13-14-16-6-11(9-4-17-18-5-9)22(14)7-10(3-15)19-13/h2,4-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile?
8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile has a molecular weight of 322.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine-6-carbonitrile is sourced from PubChem (CID 56662926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).