8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane

C20H25N7O2 — CID 177313312

IUPAC8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESC[C@H]1COCCN1c1cc(N2C3CCC2COC3)nc2c1cnn2-c1ccn[nH]1
InChIInChI=1S/C20H25N7O2/c1-13-10-28-7-6-25(13)17-8-19(26-14-2-3-15(26)12-29-11-14)23-20-16(17)9-22-27(20)18-4-5-21-24-18/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3,(H,21,24)/t13-,14?,15?/m0/s1
InChIKeyRAOLGNBTSKAYLO-NFOMZHRRSA-N
MW395.47 g/mol
LogP1.74
Rot. Bonds3

About 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane

8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 177313312) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID177313312
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESC[C@H]1COCCN1c1cc(N2C3CCC2COC3)nc2c1cnn2-c1ccn[nH]1
InChIInChI=1S/C20H25N7O2/c1-13-10-28-7-6-25(13)17-8-19(26-14-2-3-15(26)12-29-11-14)23-20-16(17)9-22-27(20)18-4-5-21-24-18/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3,(H,21,24)/t13-,14?,15?/m0/s1
InChIKeyRAOLGNBTSKAYLO-NFOMZHRRSA-N
XLogP1.74
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

[(3S)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol
CID 177313438
8-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313336
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
cyclopropyl-methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-λ6-sulfane
CID 175679888
(3R)-4-[4-(3-isocyano-3-methylbut-1-ynyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
CID 176647491
methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-pyridin-4-yl-λ6-sulfane
CID 176598553
[7-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]spiro[3.5]nonan-8-yl]methanol
CID 155585683
2-[5-hydroxy-2-methyl-5-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexyl]acetonitrile
CID 166092115
(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine
CID 174179967
6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)morpholin-4-yl]pyrazolo[5,4-b]pyridine-3-carbonitrile
CID 177313248
4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile
CID 177313434
[(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol
CID 177313426

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 177313312) is 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane is C[C@H]1COCCN1c1cc(N2C3CCC2COC3)nc2c1cnn2-c1ccn[nH]1.
What is the InChIKey of 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is RAOLGNBTSKAYLO-NFOMZHRRSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-13-10-28-7-6-25(13)17-8-19(26-14-2-3-15(26)12-29-11-14)23-20-16(17)9-22-27(20)18-4-5-21-24-18/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3,(H,21,24)/t13-,14?,15?/m0/s1.
What are the key properties of 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 395.47 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 177313312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).