4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine

C22H26N8OS — CID 170063141

IUPAC4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine
SMILESCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOCC6)s5)nc34)cn2)CC1
InChIInChI=1S/C22H26N8OS/c1-28-4-2-16(3-5-28)30-14-15(10-26-30)17-11-23-21-20(17)27-18(12-24-21)19-13-25-22(32-19)29-6-8-31-9-7-29/h10-14,16H,2-9H2,1H3,(H,23,24)
InChIKeyBYVIHQKOGCKBFB-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.05
Rot. Bonds4

About 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine

4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine (PubChem CID 170063141) has the molecular formula C22H26N8OS and a molecular weight of 450.57 g/mol. Its IUPAC name is 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine
PubChem CID170063141
Molecular FormulaC22H26N8OS
Molecular Weight450.57 g/mol
Exact Mass450.20
IUPAC Name4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine
SMILESCN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOCC6)s5)nc34)cn2)CC1
InChIInChI=1S/C22H26N8OS/c1-28-4-2-16(3-5-28)30-14-15(10-26-30)17-11-23-21-20(17)27-18(12-24-21)19-13-25-22(32-19)29-6-8-31-9-7-29/h10-14,16H,2-9H2,1H3,(H,23,24)
InChIKeyBYVIHQKOGCKBFB-UHFFFAOYSA-N
XLogP3.05
TPSA87.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine (CID 170063141) is 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine is CN1CCC(n2cc(-c3c[nH]c4ncc(-c5cnc(N6CCOCC6)s5)nc34)cn2)CC1.
What is the InChIKey of 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is BYVIHQKOGCKBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8OS/c1-28-4-2-16(3-5-28)30-14-15(10-26-30)17-11-23-21-20(17)27-18(12-24-21)19-13-25-22(32-19)29-6-8-31-9-7-29/h10-14,16H,2-9H2,1H3,(H,23,24).
What are the key properties of 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine?
4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 450.57 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 170063141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).