4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide

C14H12N8OS — CID 58874073

IUPAC4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide
SMILESCc1cc(Nc2nccn3c(-c4cnn(C(N)=O)c4)cnc23)sn1
InChIInChI=1S/C14H12N8OS/c1-8-4-11(24-20-8)19-12-13-17-6-10(21(13)3-2-16-12)9-5-18-22(7-9)14(15)23/h2-7H,1H3,(H2,15,23)(H,16,19)
InChIKeyKVOVDKFYZDYMFQ-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.03
Rot. Bonds3

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

4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide (PubChem CID 58874073) has the molecular formula C14H12N8OS and a molecular weight of 340.37 g/mol. Its IUPAC name is 4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide
PubChem CID58874073
Molecular FormulaC14H12N8OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC Name4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide
SMILESCc1cc(Nc2nccn3c(-c4cnn(C(N)=O)c4)cnc23)sn1
InChIInChI=1S/C14H12N8OS/c1-8-4-11(24-20-8)19-12-13-17-6-10(21(13)3-2-16-12)9-5-18-22(7-9)14(15)23/h2-7H,1H3,(H2,15,23)(H,16,19)
InChIKeyKVOVDKFYZDYMFQ-UHFFFAOYSA-N
XLogP2.03
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide?
The IUPAC name of 4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide (CID 58874073) is 4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide.
What is the SMILES notation for 4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide?
The canonical SMILES for 4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide is Cc1cc(Nc2nccn3c(-c4cnn(C(N)=O)c4)cnc23)sn1.
What is the InChIKey of 4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide?
The InChIKey is KVOVDKFYZDYMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N8OS/c1-8-4-11(24-20-8)19-12-13-17-6-10(21(13)3-2-16-12)9-5-18-22(7-9)14(15)23/h2-7H,1H3,(H2,15,23)(H,16,19).
What are the key properties of 4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide?
4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]pyrazole-1-carboxamide is sourced from PubChem (CID 58874073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).