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

C18H20N8S2 — CID 25094328

IUPAC3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(SC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C18H20N8S2/c1-11-5-15(28-24-11)22-17-18-20-8-14(12-6-21-25(2)9-12)26(18)10-16(23-17)27-13-3-4-19-7-13/h5-6,8-10,13,19H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyWNDCYDQMQNLOJG-UHFFFAOYSA-N
MW412.55 g/mol
LogP3.09
Rot. Bonds5

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

3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25094328) has the molecular formula C18H20N8S2 and a molecular weight of 412.55 g/mol. Its IUPAC name is 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25094328
Molecular FormulaC18H20N8S2
Molecular Weight412.55 g/mol
Exact Mass412.13
IUPAC Name3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(SC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C18H20N8S2/c1-11-5-15(28-24-11)22-17-18-20-8-14(12-6-21-25(2)9-12)26(18)10-16(23-17)27-13-3-4-19-7-13/h5-6,8-10,13,19H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyWNDCYDQMQNLOJG-UHFFFAOYSA-N
XLogP3.09
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25094328) is 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[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-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nc(SC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1.
What is the InChIKey of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is WNDCYDQMQNLOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8S2/c1-11-5-15(28-24-11)22-17-18-20-8-14(12-6-21-25(2)9-12)26(18)10-16(23-17)27-13-3-4-19-7-13/h5-6,8-10,13,19H,3-4,7H2,1-2H3,(H,22,23).
What are the key properties of 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 412.55 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-pyrrolidin-3-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25094328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).