3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C19H22N8S — CID 11502104

IUPAC3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(C3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C19H22N8S/c1-12-6-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)13-4-3-5-20-7-13/h6,8-11,13,20H,3-5,7H2,1-2H3,(H,23,24)
InChIKeyJUOIQXAYFGCKKH-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.11
Rot. Bonds4

About 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 11502104) has the molecular formula C19H22N8S and a molecular weight of 394.51 g/mol. Its IUPAC name is 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID11502104
Molecular FormulaC19H22N8S
Molecular Weight394.51 g/mol
Exact Mass394.17
IUPAC Name3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(C3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C19H22N8S/c1-12-6-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)13-4-3-5-20-7-13/h6,8-11,13,20H,3-5,7H2,1-2H3,(H,23,24)
InChIKeyJUOIQXAYFGCKKH-UHFFFAOYSA-N
XLogP3.11
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 11502104) is 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nc(C3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1.
What is the InChIKey of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is JUOIQXAYFGCKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8S/c1-12-6-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)13-4-3-5-20-7-13/h6,8-11,13,20H,3-5,7H2,1-2H3,(H,23,24).
What are the key properties of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 394.51 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 11502104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).