5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one

C17H19N3O2 — CID 154759623

IUPAC5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one
SMILESO=C1CCC(CN2CC=C(c3c[nH]c4ncccc34)CC2)O1
InChIInChI=1S/C17H19N3O2/c21-16-4-3-13(22-16)11-20-8-5-12(6-9-20)15-10-19-17-14(15)2-1-7-18-17/h1-2,5,7,10,13H,3-4,6,8-9,11H2,(H,18,19)
InChIKeyHQFZAUIOZKMDOB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.36
Rot. Bonds3

About 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one

5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one (PubChem CID 154759623) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one.

Molecular Properties

Compound Name5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one
PubChem CID154759623
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one
SMILESO=C1CCC(CN2CC=C(c3c[nH]c4ncccc34)CC2)O1
InChIInChI=1S/C17H19N3O2/c21-16-4-3-13(22-16)11-20-8-5-12(6-9-20)15-10-19-17-14(15)2-1-7-18-17/h1-2,5,7,10,13H,3-4,6,8-9,11H2,(H,18,19)
InChIKeyHQFZAUIOZKMDOB-UHFFFAOYSA-N
XLogP2.36
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 167827485
3-(1-methylsulfinyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144855080
2-ethyl-4-phenyl-2,3-dihydro-1,4-benzoxazine;1-(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanone;(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanol;4-phenyl-2-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,3-dihydro-1,4-benzoxazine
CID 159542612
N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68712699
3-[1-[(2-bromo-5-chloro-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 167750941
N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 165340215
3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 31843281
N,N-diethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 31843631
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24676151
1-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55888396
5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one
CID 157011867
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
CID 75466601

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one?
The IUPAC name of 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one (CID 154759623) is 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one.
What is the SMILES notation for 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one?
The canonical SMILES for 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one is O=C1CCC(CN2CC=C(c3c[nH]c4ncccc34)CC2)O1.
What is the InChIKey of 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one?
The InChIKey is HQFZAUIOZKMDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-4-3-13(22-16)11-20-8-5-12(6-9-20)15-10-19-17-14(15)2-1-7-18-17/h1-2,5,7,10,13H,3-4,6,8-9,11H2,(H,18,19).
What are the key properties of 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one?
5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-one is sourced from PubChem (CID 154759623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).