(2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol

C17H22N4OS — CID 95718721

IUPAC(2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol
SMILESCC(C)c1cc(NC[C@@H](CO)Cc2ccsc2)n2nccc2n1
InChIInChI=1S/C17H22N4OS/c1-12(2)15-8-17(21-16(20-15)3-5-19-21)18-9-14(10-22)7-13-4-6-23-11-13/h3-6,8,11-12,14,18,22H,7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyAETHISWKDAUAIV-AWEZNQCLSA-N
MW330.46 g/mol
LogP3.18
Rot. Bonds7

About (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol

(2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol (PubChem CID 95718721) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol
PubChem CID95718721
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name(2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol
SMILESCC(C)c1cc(NC[C@@H](CO)Cc2ccsc2)n2nccc2n1
InChIInChI=1S/C17H22N4OS/c1-12(2)15-8-17(21-16(20-15)3-5-19-21)18-9-14(10-22)7-13-4-6-23-11-13/h3-6,8,11-12,14,18,22H,7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyAETHISWKDAUAIV-AWEZNQCLSA-N
XLogP3.18
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772772
N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 99960412
(2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 95725588
5-propan-2-yl-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95891617
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95718973
(5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95889222
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
CID 70769503
3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
CID 118789146
5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95714013
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
CID 56901779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol (CID 95718721) is (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol is CC(C)c1cc(NC[C@@H](CO)Cc2ccsc2)n2nccc2n1.
What is the InChIKey of (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol?
The InChIKey is AETHISWKDAUAIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12(2)15-8-17(21-16(20-15)3-5-19-21)18-9-14(10-22)7-13-4-6-23-11-13/h3-6,8,11-12,14,18,22H,7,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol?
(2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol has a molecular weight of 330.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 95718721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).