4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine

C16H11ClN8S — CID 58873879

IUPAC4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine
SMILESCn1cc(-c2cnc3c(Nc4cc5ncnc(Cl)c5s4)nccn23)cn1
InChIInChI=1S/C16H11ClN8S/c1-24-7-9(5-22-24)11-6-19-16-15(18-2-3-25(11)16)23-12-4-10-13(26-12)14(17)21-8-20-10/h2-8H,1H3,(H,18,23)
InChIKeyJOGQZNSMGCYUFH-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.53
Rot. Bonds3

About 4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine

4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine (PubChem CID 58873879) has the molecular formula C16H11ClN8S and a molecular weight of 382.84 g/mol. Its IUPAC name is 4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine
PubChem CID58873879
Molecular FormulaC16H11ClN8S
Molecular Weight382.84 g/mol
Exact Mass382.05
IUPAC Name4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine
SMILESCn1cc(-c2cnc3c(Nc4cc5ncnc(Cl)c5s4)nccn23)cn1
InChIInChI=1S/C16H11ClN8S/c1-24-7-9(5-22-24)11-6-19-16-15(18-2-3-25(11)16)23-12-4-10-13(26-12)14(17)21-8-20-10/h2-8H,1H3,(H,18,23)
InChIKeyJOGQZNSMGCYUFH-UHFFFAOYSA-N
XLogP3.53
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine?
The IUPAC name of 4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine (CID 58873879) is 4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine is Cn1cc(-c2cnc3c(Nc4cc5ncnc(Cl)c5s4)nccn23)cn1.
What is the InChIKey of 4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine?
The InChIKey is JOGQZNSMGCYUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN8S/c1-24-7-9(5-22-24)11-6-19-16-15(18-2-3-25(11)16)23-12-4-10-13(26-12)14(17)21-8-20-10/h2-8H,1H3,(H,18,23).
What are the key properties of 4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine?
4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine has a molecular weight of 382.84 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 58873879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).