N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine

C22H20N8S — CID 58873936

IUPACN-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
SMILESCn1cc(-c2cnc3c(Nc4cc5cccnc5s4)nc(C4=CCCNC4)cn23)cn1
InChIInChI=1S/C22H20N8S/c1-29-12-16(10-26-29)18-11-25-21-20(28-19-8-14-4-3-7-24-22(14)31-19)27-17(13-30(18)21)15-5-2-6-23-9-15/h3-5,7-8,10-13,23H,2,6,9H2,1H3,(H,27,28)
InChIKeyUQUKPVZISACONH-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.86
Rot. Bonds4

About N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine

N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine (PubChem CID 58873936) has the molecular formula C22H20N8S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
PubChem CID58873936
Molecular FormulaC22H20N8S
Molecular Weight428.53 g/mol
Exact Mass428.15
IUPAC NameN-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
SMILESCn1cc(-c2cnc3c(Nc4cc5cccnc5s4)nc(C4=CCCNC4)cn23)cn1
InChIInChI=1S/C22H20N8S/c1-29-12-16(10-26-29)18-11-25-21-20(28-19-8-14-4-3-7-24-22(14)31-19)27-17(13-30(18)21)15-5-2-6-23-9-15/h3-5,7-8,10-13,23H,2,6,9H2,1H3,(H,27,28)
InChIKeyUQUKPVZISACONH-UHFFFAOYSA-N
XLogP3.86
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine (CID 58873936) is N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine is Cn1cc(-c2cnc3c(Nc4cc5cccnc5s4)nc(C4=CCCNC4)cn23)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
The InChIKey is UQUKPVZISACONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8S/c1-29-12-16(10-26-29)18-11-25-21-20(28-19-8-14-4-3-7-24-22(14)31-19)27-17(13-30(18)21)15-5-2-6-23-9-15/h3-5,7-8,10-13,23H,2,6,9H2,1H3,(H,27,28).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine has a molecular weight of 428.53 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine is sourced from PubChem (CID 58873936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).