[(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol

C19H22N8O2S — CID 52948167

IUPAC[(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOC[C@@H]3CO)ns2)n1
InChIInChI=1S/C19H22N8O2S/c1-12-8-27-16(13-5-21-22-6-13)7-20-19(27)18(23-12)24-17-4-14(25-30-17)9-26-2-3-29-11-15(26)10-28/h4-8,15,28H,2-3,9-11H2,1H3,(H,21,22)(H,23,24)/t15-/m0/s1
InChIKeySUJWLPAXHJVCKJ-HNNXBMFYSA-N
MW426.51 g/mol
LogP1.82
Rot. Bonds6

About [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol

[(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol (PubChem CID 52948167) has the molecular formula C19H22N8O2S and a molecular weight of 426.51 g/mol. Its IUPAC name is [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol
PubChem CID52948167
Molecular FormulaC19H22N8O2S
Molecular Weight426.51 g/mol
Exact Mass426.16
IUPAC Name[(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOC[C@@H]3CO)ns2)n1
InChIInChI=1S/C19H22N8O2S/c1-12-8-27-16(13-5-21-22-6-13)7-20-19(27)18(23-12)24-17-4-14(25-30-17)9-26-2-3-29-11-15(26)10-28/h4-8,15,28H,2-3,9-11H2,1H3,(H,21,22)(H,23,24)/t15-/m0/s1
InChIKeySUJWLPAXHJVCKJ-HNNXBMFYSA-N
XLogP1.82
TPSA116.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol?
The IUPAC name of [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol (CID 52948167) is [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol?
The canonical SMILES for [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOC[C@@H]3CO)ns2)n1.
What is the InChIKey of [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol?
The InChIKey is SUJWLPAXHJVCKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N8O2S/c1-12-8-27-16(13-5-21-22-6-13)7-20-19(27)18(23-12)24-17-4-14(25-30-17)9-26-2-3-29-11-15(26)10-28/h4-8,15,28H,2-3,9-11H2,1H3,(H,21,22)(H,23,24)/t15-/m0/s1.
What are the key properties of [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol?
[(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol has a molecular weight of 426.51 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]morpholin-3-yl]methanol is sourced from PubChem (CID 52948167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).