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

C18H17N9S — CID 58873922

IUPACN-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine
SMILESCn1cc(-c2cnc3c(Nc4cc5nccnc5s4)nc(CCN)cn23)cn1
InChIInChI=1S/C18H17N9S/c1-26-9-11(7-23-26)14-8-22-17-16(24-12(2-3-19)10-27(14)17)25-15-6-13-18(28-15)21-5-4-20-13/h4-10H,2-3,19H2,1H3,(H,24,25)
InChIKeyLYWQYHNHVGOUSC-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.38
Rot. Bonds5

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

N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine (PubChem CID 58873922) has the molecular formula C18H17N9S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine
PubChem CID58873922
Molecular FormulaC18H17N9S
Molecular Weight391.46 g/mol
Exact Mass391.13
IUPAC NameN-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine
SMILESCn1cc(-c2cnc3c(Nc4cc5nccnc5s4)nc(CCN)cn23)cn1
InChIInChI=1S/C18H17N9S/c1-26-9-11(7-23-26)14-8-22-17-16(24-12(2-3-19)10-27(14)17)25-15-6-13-18(28-15)21-5-4-20-13/h4-10H,2-3,19H2,1H3,(H,24,25)
InChIKeyLYWQYHNHVGOUSC-UHFFFAOYSA-N
XLogP2.38
TPSA111.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine (CID 58873922) is N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine is Cn1cc(-c2cnc3c(Nc4cc5nccnc5s4)nc(CCN)cn23)cn1.
What is the InChIKey of N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine?
The InChIKey is LYWQYHNHVGOUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9S/c1-26-9-11(7-23-26)14-8-22-17-16(24-12(2-3-19)10-27(14)17)25-15-6-13-18(28-15)21-5-4-20-13/h4-10H,2-3,19H2,1H3,(H,24,25).
What are the key properties of N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine?
N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine has a molecular weight of 391.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 58873922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).