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

C19H26N8O — CID 86765985

IUPAC(2S)-2-cyclohexyl-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESOC[C@@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2cn[nH]c2n1)C1CCCCC1
InChIInChI=1S/C19H26N8O/c28-10-15(11-4-2-1-3-5-11)21-19-23-17(13-9-20-27-18(13)24-19)22-16-8-14(25-26-16)12-6-7-12/h8-9,11-12,15,28H,1-7,10H2,(H4,20,21,22,23,24,25,26,27)/t15-/m1/s1
InChIKeyHZMBPWOGDBXQKD-OAHLLOKOSA-N
MW382.47 g/mol
LogP3.05
Rot. Bonds7

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

(2S)-2-cyclohexyl-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 86765985) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[[4-[(5-cyclopropyl-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-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID86765985
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name(2S)-2-cyclohexyl-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESOC[C@@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2cn[nH]c2n1)C1CCCCC1
InChIInChI=1S/C19H26N8O/c28-10-15(11-4-2-1-3-5-11)21-19-23-17(13-9-20-27-18(13)24-19)22-16-8-14(25-26-16)12-6-7-12/h8-9,11-12,15,28H,1-7,10H2,(H4,20,21,22,23,24,25,26,27)/t15-/m1/s1
InChIKeyHZMBPWOGDBXQKD-OAHLLOKOSA-N
XLogP3.05
TPSA127.43 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2S)-2-cyclohexyl-2-[[4-[(5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 86765985) is (2S)-2-cyclohexyl-2-[[4-[(5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol is OC[C@@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2cn[nH]c2n1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is HZMBPWOGDBXQKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N8O/c28-10-15(11-4-2-1-3-5-11)21-19-23-17(13-9-20-27-18(13)24-19)22-16-8-14(25-26-16)12-6-7-12/h8-9,11-12,15,28H,1-7,10H2,(H4,20,21,22,23,24,25,26,27)/t15-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol?
(2S)-2-cyclohexyl-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 382.47 g/mol, XLogP of 3.05, 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-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 86765985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).