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

C20H26N6O2 — CID 147549171

IUPAC1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol
SMILESC[C@@H]1COCCN1c1cc(C2(O)CCCCC2)c2cnn(-c3ccn[nH]3)c2n1
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
InChIKeyFQKXKPOYKGSMGM-CQSZACIVSA-N
MW382.47 g/mol
LogP2.52
Rot. Bonds3

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

1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol (PubChem CID 147549171) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 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 Name1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol
PubChem CID147549171
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol
SMILESC[C@@H]1COCCN1c1cc(C2(O)CCCCC2)c2cnn(-c3ccn[nH]3)c2n1
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
InChIKeyFQKXKPOYKGSMGM-CQSZACIVSA-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 ≤ 500382.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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 1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol (CID 147549171) is 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 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 1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol is C[C@@H]1COCCN1c1cc(C2(O)CCCCC2)c2cnn(-c3ccn[nH]3)c2n1.
What is the InChIKey of 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-CQSZACIVSA-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.
What are the key properties of 1-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexan-1-ol?
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 382.47 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 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 147549171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).