(2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol

C19H28N8O — CID 86765986

IUPAC(2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCC(C)c1cc(Nc2nc(N[C@H](CO)C3CCCCC3)nc3[nH]ncc23)n[nH]1
InChIInChI=1S/C19H28N8O/c1-11(2)14-8-16(26-25-14)22-17-13-9-20-27-18(13)24-19(23-17)21-15(10-28)12-6-4-3-5-7-12/h8-9,11-12,15,28H,3-7,10H2,1-2H3,(H4,20,21,22,23,24,25,26,27)/t15-/m1/s1
InChIKeyISQKTZJQIVTQSH-OAHLLOKOSA-N
MW384.49 g/mol
LogP3.30
Rot. Bonds7

About (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol

(2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 86765986) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID86765986
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name(2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCC(C)c1cc(Nc2nc(N[C@H](CO)C3CCCCC3)nc3[nH]ncc23)n[nH]1
InChIInChI=1S/C19H28N8O/c1-11(2)14-8-16(26-25-14)22-17-13-9-20-27-18(13)24-19(23-17)21-15(10-28)12-6-4-3-5-7-12/h8-9,11-12,15,28H,3-7,10H2,1-2H3,(H4,20,21,22,23,24,25,26,27)/t15-/m1/s1
InChIKeyISQKTZJQIVTQSH-OAHLLOKOSA-N
XLogP3.30
TPSA127.43 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 86765986) is (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol is CC(C)c1cc(Nc2nc(N[C@H](CO)C3CCCCC3)nc3[nH]ncc23)n[nH]1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is ISQKTZJQIVTQSH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N8O/c1-11(2)14-8-16(26-25-14)22-17-13-9-20-27-18(13)24-19(23-17)21-15(10-28)12-6-4-3-5-7-12/h8-9,11-12,15,28H,3-7,10H2,1-2H3,(H4,20,21,22,23,24,25,26,27)/t15-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol?
(2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 384.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 86765986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).