[(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

C20H25N7O3 — CID 177313438

IUPAC[(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
SMILESOC[C@H]1COCCN1c1cc(N2C3CCC2COC3)nc2c1cnn2-c1ccn[nH]1
InChIInChI=1S/C20H25N7O3/c28-9-15-12-29-6-5-25(15)17-7-19(26-13-1-2-14(26)11-30-10-13)23-20-16(17)8-22-27(20)18-3-4-21-24-18/h3-4,7-8,13-15,28H,1-2,5-6,9-12H2,(H,21,24)/t13?,14?,15-/m0/s1
InChIKeyYTPRPAPJIFUVQR-NRXISQOPSA-N
MW411.47 g/mol
LogP0.71
Rot. Bonds4

About [(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

[(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 (PubChem CID 177313438) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID177313438
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Name[(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
SMILESOC[C@H]1COCCN1c1cc(N2C3CCC2COC3)nc2c1cnn2-c1ccn[nH]1
InChIInChI=1S/C20H25N7O3/c28-9-15-12-29-6-5-25(15)17-7-19(26-13-1-2-14(26)11-30-10-13)23-20-16(17)8-22-27(20)18-3-4-21-24-18/h3-4,7-8,13-15,28H,1-2,5-6,9-12H2,(H,21,24)/t13?,14?,15-/m0/s1
InChIKeyYTPRPAPJIFUVQR-NRXISQOPSA-N
XLogP0.71
TPSA104.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(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 with MolForge

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Related Compounds

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
[(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
2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile
CID 166726969
[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
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
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
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
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
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
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
(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
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

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is OC[C@H]1COCCN1c1cc(N2C3CCC2COC3)nc2c1cnn2-c1ccn[nH]1.
What is the InChIKey of [(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?
The InChIKey is YTPRPAPJIFUVQR-NRXISQOPSA-N. The full InChI is InChI=1S/C20H25N7O3/c28-9-15-12-29-6-5-25(15)17-7-19(26-13-1-2-14(26)11-30-10-13)23-20-16(17)8-22-27(20)18-3-4-21-24-18/h3-4,7-8,13-15,28H,1-2,5-6,9-12H2,(H,21,24)/t13?,14?,15-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 411.47 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 177313438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).