pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol

C17H19N5O — CID 50968923

IUPACpyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C17H19N5O/c23-15(14-3-1-2-7-18-14)12-5-9-22(10-6-12)17-13-4-8-19-16(13)20-11-21-17/h1-4,7-8,11-12,15,23H,5-6,9-10H2,(H,19,20,21)
InChIKeyFTXYHVSQXLGXMR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.30
Rot. Bonds3

About pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol

pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 50968923) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Namepyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID50968923
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Namepyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C17H19N5O/c23-15(14-3-1-2-7-18-14)12-5-9-22(10-6-12)17-13-4-8-19-16(13)20-11-21-17/h1-4,7-8,11-12,15,23H,5-6,9-10H2,(H,19,20,21)
InChIKeyFTXYHVSQXLGXMR-UHFFFAOYSA-N
XLogP2.30
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Slv320
CID 9953065
2-(4-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-ylamino)-3-methylphenyl)ethanol
CID 44416018
4-[[4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 49830272
(2R)-2-[(2S)-4-[5-fluoro-3-(hydroxymethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 53354478
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
(2S)-2-phenyl-2-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 117779877
(2S)-2-[[6-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 117803897
N-[(1r,3s)-3-({5-Fluoro-2-[5-Fluoro-2-(Hydroxymethyl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]pyrimidin-4-Yl}amino)cyclohexyl]pyrrolidine-1-Carboxamide
CID 119081679
(2S)-2-[[6-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162649655
(2S)-2-[[6-[4-[[2-(dimethylamino)ethylamino]methyl]-3-fluorophenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162650080
(2S)-2-[[6-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162651768
(3R)-3-phenyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 162667501

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol (CID 50968923) is pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol is OC(c1ccccn1)C1CCN(c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is FTXYHVSQXLGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-15(14-3-1-2-7-18-14)12-5-9-22(10-6-12)17-13-4-8-19-16(13)20-11-21-17/h1-4,7-8,11-12,15,23H,5-6,9-10H2,(H,19,20,21).
What are the key properties of pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 309.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 50968923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).