2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile

C21H26FN9O — CID 123510028

IUPAC2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile
SMILESCC(C#N)Nc1nn(C(C)C)c2cc(Nc3ccnc(N4CCC(O)C(F)C4)n3)ncc12
InChIInChI=1S/C21H26FN9O/c1-12(2)31-16-8-19(25-10-14(16)20(29-31)26-13(3)9-23)27-18-4-6-24-21(28-18)30-7-5-17(32)15(22)11-30/h4,6,8,10,12-13,15,17,32H,5,7,11H2,1-3H3,(H,26,29)(H,24,25,27,28)
InChIKeyLWISFYCAIQLRPY-UHFFFAOYSA-N
MW439.50 g/mol
LogP2.78
Rot. Bonds6

About 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile

2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile (PubChem CID 123510028) has the molecular formula C21H26FN9O and a molecular weight of 439.50 g/mol. Its IUPAC name is 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile.

Molecular Properties

Compound Name2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile
PubChem CID123510028
Molecular FormulaC21H26FN9O
Molecular Weight439.50 g/mol
Exact Mass439.22
IUPAC Name2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile
SMILESCC(C#N)Nc1nn(C(C)C)c2cc(Nc3ccnc(N4CCC(O)C(F)C4)n3)ncc12
InChIInChI=1S/C21H26FN9O/c1-12(2)31-16-8-19(25-10-14(16)20(29-31)26-13(3)9-23)27-18-4-6-24-21(28-18)30-7-5-17(32)15(22)11-30/h4,6,8,10,12-13,15,17,32H,5,7,11H2,1-3H3,(H,26,29)(H,24,25,27,28)
InChIKeyLWISFYCAIQLRPY-UHFFFAOYSA-N
XLogP2.78
TPSA127.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile with MolForge

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Related Compounds

3-fluoro-1-[4-[[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 123845664
1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one
CID 122509893
(3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 122509956
(3S,4R)-3-fluoro-1-[4-[[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 122509911
3-fluoro-1-[4-[[8-(methylamino)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 175575140
1-[1-butan-2-yl-6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]imidazolidin-2-one
CID 122509909
(3R,4S)-3-fluoro-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 166546956
N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
CID 134443076
1-[6-[[2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3,4-diol
CID 123868629
(3R,4S)-3-fluoro-1-[4-[[2-(1-hydroxyethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 134238484
3-fluoro-1-[4-[[2-[(1R)-1-hydroxyethyl]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 90183653
1-[1-butan-2-yl-6-[[2-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one
CID 90183755

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile?
The IUPAC name of 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile (CID 123510028) is 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile.
What is the SMILES notation for 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile?
The canonical SMILES for 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile is CC(C#N)Nc1nn(C(C)C)c2cc(Nc3ccnc(N4CCC(O)C(F)C4)n3)ncc12.
What is the InChIKey of 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile?
The InChIKey is LWISFYCAIQLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN9O/c1-12(2)31-16-8-19(25-10-14(16)20(29-31)26-13(3)9-23)27-18-4-6-24-21(28-18)30-7-5-17(32)15(22)11-30/h4,6,8,10,12-13,15,17,32H,5,7,11H2,1-3H3,(H,26,29)(H,24,25,27,28).
What are the key properties of 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile?
2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile has a molecular weight of 439.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile is sourced from PubChem (CID 123510028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).