pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

C17H16N4O — CID 51589304

IUPACpyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC[C@H]1c1cc2cccnc2[nH]1
InChIInChI=1S/C17H16N4O/c22-17(13-5-1-7-18-11-13)21-9-3-6-15(21)14-10-12-4-2-8-19-16(12)20-14/h1-2,4-5,7-8,10-11,15H,3,6,9H2,(H,19,20)/t15-/m0/s1
InChIKeyQLCDWNLIEIWOQR-HNNXBMFYSA-N
MW292.34 g/mol
LogP2.94
Rot. Bonds2

About pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 51589304) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID51589304
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Namepyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC[C@H]1c1cc2cccnc2[nH]1
InChIInChI=1S/C17H16N4O/c22-17(13-5-1-7-18-11-13)21-9-3-6-15(21)14-10-12-4-2-8-19-16(12)20-14/h1-2,4-5,7-8,10-11,15H,3,6,9H2,(H,19,20)/t15-/m0/s1
InChIKeyQLCDWNLIEIWOQR-HNNXBMFYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
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[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099796
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95845020
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110270750
4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816540
(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 71878068
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 118741797
2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92574832
6-fluoro-5-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 51589304) is pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cccnc1)N1CCC[C@H]1c1cc2cccnc2[nH]1.
What is the InChIKey of pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QLCDWNLIEIWOQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(13-5-1-7-18-11-13)21-9-3-6-15(21)14-10-12-4-2-8-19-16(12)20-14/h1-2,4-5,7-8,10-11,15H,3,6,9H2,(H,19,20)/t15-/m0/s1.
What are the key properties of pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 292.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51589304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).