2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol

C20H26N6O2 — CID 162451157

IUPAC2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C(O)(c2cc(N3CCOC[C@H]3C)nc3c2cnn3-c2ccn[nH]2)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C20H26N6O2/c1-14-13-28-10-9-25(14)18-11-16(20(27)6-3-2-4-7-20)15-12-22-26(19(15)23-18)17-5-8-21-24-17/h5,8,11-12,14,27H,2-4,6-7,9-10,13H2,1H3,(H,21,24)/t14-/m1/s1/i2D2,3D2,4D2,6D2,7D2
InChIKeyFQKXKPOYKGSMGM-HEZOAATPSA-N
MW392.53 g/mol
LogP2.52
Rot. Bonds3

About 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol

2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol (PubChem CID 162451157) has the molecular formula C20H26N6O2 and a molecular weight of 392.53 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol
PubChem CID162451157
Molecular FormulaC20H26N6O2
Molecular Weight392.53 g/mol
Exact Mass392.27
IUPAC Name2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C(O)(c2cc(N3CCOC[C@H]3C)nc3c2cnn3-c2ccn[nH]2)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C20H26N6O2/c1-14-13-28-10-9-25(14)18-11-16(20(27)6-3-2-4-7-20)15-12-22-26(19(15)23-18)17-5-8-21-24-17/h5,8,11-12,14,27H,2-4,6-7,9-10,13H2,1H3,(H,21,24)/t14-/m1/s1/i2D2,3D2,4D2,6D2,7D2
InChIKeyFQKXKPOYKGSMGM-HEZOAATPSA-N
XLogP2.52
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol (CID 162451157) is 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol is [2H]C1([2H])C([2H])([2H])C([2H])([2H])C(O)(c2cc(N3CCOC[C@H]3C)nc3c2cnn3-c2ccn[nH]2)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol?
The InChIKey is FQKXKPOYKGSMGM-HEZOAATPSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-13-28-10-9-25(14)18-11-16(20(27)6-3-2-4-7-20)15-12-22-26(19(15)23-18)17-5-8-21-24-17/h5,8,11-12,14,27H,2-4,6-7,9-10,13H2,1H3,(H,21,24)/t14-/m1/s1/i2D2,3D2,4D2,6D2,7D2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol?
2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol has a molecular weight of 392.53 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 162451157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).