2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile

C19H23N7O — CID 166726969

IUPAC2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile
SMILESCC[C@@H]1COCCN1c1cc(C(C)(C)C#N)c2cnn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C19H23N7O/c1-4-13-11-27-8-7-25(13)17-9-15(19(2,3)12-20)14-10-22-26(18(14)23-17)16-5-6-21-24-16/h5-6,9-10,13H,4,7-8,11H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyPXHPKZUXLDHFBR-CYBMUJFWSA-N
MW365.44 g/mol
LogP2.56
Rot. Bonds4

About 2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile

2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile (PubChem CID 166726969) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile
PubChem CID166726969
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile
SMILESCC[C@@H]1COCCN1c1cc(C(C)(C)C#N)c2cnn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C19H23N7O/c1-4-13-11-27-8-7-25(13)17-9-15(19(2,3)12-20)14-10-22-26(18(14)23-17)16-5-6-21-24-16/h5-6,9-10,13H,4,7-8,11H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyPXHPKZUXLDHFBR-CYBMUJFWSA-N
XLogP2.56
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
[(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
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
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
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
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
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
(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine
CID 174179967
2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile
CID 166527528
4-[4-(1-methylsulfanylcyclopropyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 156754152
methanamine;(3Z)-6-methyl-5-(trifluoromethyl)hepta-1,3,5-triene;4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]heptan-4-ol
CID 155585631

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile (CID 166726969) is 2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile is CC[C@@H]1COCCN1c1cc(C(C)(C)C#N)c2cnn(-c3ccn[nH]3)c2n1.
What is the InChIKey of 2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile?
The InChIKey is PXHPKZUXLDHFBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N7O/c1-4-13-11-27-8-7-25(13)17-9-15(19(2,3)12-20)14-10-22-26(18(14)23-17)16-5-6-21-24-16/h5-6,9-10,13H,4,7-8,11H2,1-3H3,(H,21,24)/t13-/m1/s1.
What are the key properties of 2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile?
2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile has a molecular weight of 365.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile is sourced from PubChem (CID 166726969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).