2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol

C20H30N8O — CID 86765988

IUPAC2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol
SMILESCC(C)(C)c1cc(Nc2nc(NC(CO)C3CCCCC3)nc3[nH]ncc23)n[nH]1
InChIInChI=1S/C20H30N8O/c1-20(2,3)15-9-16(27-26-15)23-17-13-10-21-28-18(13)25-19(24-17)22-14(11-29)12-7-5-4-6-8-12/h9-10,12,14,29H,4-8,11H2,1-3H3,(H4,21,22,23,24,25,26,27,28)
InChIKeyLQHDIUPOUIHHFX-UHFFFAOYSA-N
MW398.52 g/mol
LogP3.47
Rot. Bonds6

About 2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol

2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol (PubChem CID 86765988) has the molecular formula C20H30N8O and a molecular weight of 398.52 g/mol. Its IUPAC name is 2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol.

Molecular Properties

Compound Name2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol
PubChem CID86765988
Molecular FormulaC20H30N8O
Molecular Weight398.52 g/mol
Exact Mass398.25
IUPAC Name2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol
SMILESCC(C)(C)c1cc(Nc2nc(NC(CO)C3CCCCC3)nc3[nH]ncc23)n[nH]1
InChIInChI=1S/C20H30N8O/c1-20(2,3)15-9-16(27-26-15)23-17-13-10-21-28-18(13)25-19(24-17)22-14(11-29)12-7-5-4-6-8-12/h9-10,12,14,29H,4-8,11H2,1-3H3,(H4,21,22,23,24,25,26,27,28)
InChIKeyLQHDIUPOUIHHFX-UHFFFAOYSA-N
XLogP3.47
TPSA127.43 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 53.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol?
The IUPAC name of 2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol (CID 86765988) is 2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol.
What is the SMILES notation for 2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol?
The canonical SMILES for 2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol is CC(C)(C)c1cc(Nc2nc(NC(CO)C3CCCCC3)nc3[nH]ncc23)n[nH]1.
What is the InChIKey of 2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol?
The InChIKey is LQHDIUPOUIHHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O/c1-20(2,3)15-9-16(27-26-15)23-17-13-10-21-28-18(13)25-19(24-17)22-14(11-29)12-7-5-4-6-8-12/h9-10,12,14,29H,4-8,11H2,1-3H3,(H4,21,22,23,24,25,26,27,28).
What are the key properties of 2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol?
2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol has a molecular weight of 398.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-cyclohexylethanol is sourced from PubChem (CID 86765988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).