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

C19H23N9O2S2 — CID 52945733

IUPACN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCN(S(C)(=O)=O)CC3)ns2)n1
InChIInChI=1S/C19H23N9O2S2/c1-13-11-28-16(14-8-21-22-9-14)10-20-19(28)18(23-13)24-17-7-15(25-31-17)12-26-3-5-27(6-4-26)32(2,29)30/h7-11H,3-6,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyONYIWGBSXPBLPW-UHFFFAOYSA-N
MW473.59 g/mol
LogP1.71
Rot. Bonds6

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

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine (PubChem CID 52945733) has the molecular formula C19H23N9O2S2 and a molecular weight of 473.59 g/mol. Its IUPAC name is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine
PubChem CID52945733
Molecular FormulaC19H23N9O2S2
Molecular Weight473.59 g/mol
Exact Mass473.14
IUPAC NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCN(S(C)(=O)=O)CC3)ns2)n1
InChIInChI=1S/C19H23N9O2S2/c1-13-11-28-16(14-8-21-22-9-14)10-20-19(28)18(23-13)24-17-7-15(25-31-17)12-26-3-5-27(6-4-26)32(2,29)30/h7-11H,3-6,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyONYIWGBSXPBLPW-UHFFFAOYSA-N
XLogP1.71
TPSA124.41 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine?
The IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine (CID 52945733) is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCN(S(C)(=O)=O)CC3)ns2)n1.
What is the InChIKey of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine?
The InChIKey is ONYIWGBSXPBLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9O2S2/c1-13-11-28-16(14-8-21-22-9-14)10-20-19(28)18(23-13)24-17-7-15(25-31-17)12-26-3-5-27(6-4-26)32(2,29)30/h7-11H,3-6,12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine?
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine has a molecular weight of 473.59 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 52945733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).