3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol

C20H24N8OS — CID 58873993

IUPAC3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol
SMILESCn1cc(-c2cnc3c(Nc4cc(C5CCNC5)ns4)nc(CCCO)cn23)cn1
InChIInChI=1S/C20H24N8OS/c1-27-11-14(9-23-27)17-10-22-20-19(24-15(3-2-6-29)12-28(17)20)25-18-7-16(26-30-18)13-4-5-21-8-13/h7,9-13,21,29H,2-6,8H2,1H3,(H,24,25)
InChIKeyIWKLTADYLDSWGL-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.33
Rot. Bonds7

About 3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol

3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol (PubChem CID 58873993) has the molecular formula C20H24N8OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol
PubChem CID58873993
Molecular FormulaC20H24N8OS
Molecular Weight424.53 g/mol
Exact Mass424.18
IUPAC Name3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol
SMILESCn1cc(-c2cnc3c(Nc4cc(C5CCNC5)ns4)nc(CCCO)cn23)cn1
InChIInChI=1S/C20H24N8OS/c1-27-11-14(9-23-27)17-10-22-20-19(24-15(3-2-6-29)12-28(17)20)25-18-7-16(26-30-18)13-4-5-21-8-13/h7,9-13,21,29H,2-6,8H2,1H3,(H,24,25)
InChIKeyIWKLTADYLDSWGL-UHFFFAOYSA-N
XLogP2.33
TPSA105.19 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?
The IUPAC name of 3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol (CID 58873993) is 3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?
The canonical SMILES for 3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol is Cn1cc(-c2cnc3c(Nc4cc(C5CCNC5)ns4)nc(CCCO)cn23)cn1.
What is the InChIKey of 3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?
The InChIKey is IWKLTADYLDSWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8OS/c1-27-11-14(9-23-27)17-10-22-20-19(24-15(3-2-6-29)12-28(17)20)25-18-7-16(26-30-18)13-4-5-21-8-13/h7,9-13,21,29H,2-6,8H2,1H3,(H,24,25).
What are the key properties of 3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol?
3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol has a molecular weight of 424.53 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpyrazol-4-yl)-8-[(3-pyrrolidin-3-yl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-6-yl]propan-1-ol is sourced from PubChem (CID 58873993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).