[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol

C20H20N6O2S — CID 169032688

IUPAC[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol
SMILESCc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4nc(CO)sc4n3)n2)c1
InChIInChI=1S/C20H20N6O2S/c1-13-3-2-4-14(11-13)15-5-6-26(24-15)20-22-18(25-7-9-28-10-8-25)17-19(23-20)29-16(12-27)21-17/h2-6,11,27H,7-10,12H2,1H3
InChIKeyOMNQZMGNISZNKZ-UHFFFAOYSA-N
MW408.49 g/mol
LogP2.58
Rot. Bonds4

About [5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol

[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol (PubChem CID 169032688) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is [5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol
PubChem CID169032688
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol
SMILESCc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4nc(CO)sc4n3)n2)c1
InChIInChI=1S/C20H20N6O2S/c1-13-3-2-4-14(11-13)15-5-6-26(24-15)20-22-18(25-7-9-28-10-8-25)17-19(23-20)29-16(12-27)21-17/h2-6,11,27H,7-10,12H2,1H3
InChIKeyOMNQZMGNISZNKZ-UHFFFAOYSA-N
XLogP2.58
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032510
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 169032486
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine
CID 166164628
N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 168728145
2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol
CID 170269025
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831967
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[3-(triazol-2-yl)propyl]pyrimidin-4-yl]morpholine
CID 156832136
3-hydroxy-3-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propanenitrile
CID 156831881
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 167250067
4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568691

Frequently Asked Questions

What is the IUPAC name of [5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol?
The IUPAC name of [5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol (CID 169032688) is [5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for [5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol?
The canonical SMILES for [5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol is Cc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4nc(CO)sc4n3)n2)c1.
What is the InChIKey of [5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol?
The InChIKey is OMNQZMGNISZNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-13-3-2-4-14(11-13)15-5-6-26(24-15)20-22-18(25-7-9-28-10-8-25)17-19(23-20)29-16(12-27)21-17/h2-6,11,27H,7-10,12H2,1H3.
What are the key properties of [5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol?
[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol has a molecular weight of 408.49 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 169032688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).