N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

C18H16N8S2 — CID 71024050

IUPACN-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3ccncc3)cn3c(C4C=NNC4)cnc23)sn1
InChIInChI=1S/C18H16N8S2/c1-11-6-15(28-25-11)23-17-18-20-9-14(12-7-21-22-8-12)26(18)10-16(24-17)27-13-2-4-19-5-3-13/h2-7,9-10,12,22H,8H2,1H3,(H,23,24)
InChIKeyYVXLRRNRKAOUSH-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.46
Rot. Bonds5

About N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 71024050) has the molecular formula C18H16N8S2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID71024050
Molecular FormulaC18H16N8S2
Molecular Weight408.52 g/mol
Exact Mass408.09
IUPAC NameN-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3ccncc3)cn3c(C4C=NNC4)cnc23)sn1
InChIInChI=1S/C18H16N8S2/c1-11-6-15(28-25-11)23-17-18-20-9-14(12-7-21-22-8-12)26(18)10-16(24-17)27-13-2-4-19-5-3-13/h2-7,9-10,12,22H,8H2,1H3,(H,23,24)
InChIKeyYVXLRRNRKAOUSH-UHFFFAOYSA-N
XLogP3.46
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 71024050) is N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(Sc3ccncc3)cn3c(C4C=NNC4)cnc23)sn1.
What is the InChIKey of N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is YVXLRRNRKAOUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8S2/c1-11-6-15(28-25-11)23-17-18-20-9-14(12-7-21-22-8-12)26(18)10-16(24-17)27-13-2-4-19-5-3-13/h2-7,9-10,12,22H,8H2,1H3,(H,23,24).
What are the key properties of N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 408.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1H-pyrazol-4-yl)-6-pyridin-4-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 71024050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).