8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

C20H27N3O2 — CID 110223879

IUPAC8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cn2ccc3ncccc32)CC2CCC(C1)N2CC1CCOC1
InChIInChI=1S/C20H27N3O2/c24-20(14-22-8-5-18-19(22)2-1-7-21-18)10-16-3-4-17(11-20)23(16)12-15-6-9-25-13-15/h1-2,5,7-8,15-17,24H,3-4,6,9-14H2
InChIKeyPAUNFRLUKWJKCJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.43
Rot. Bonds4

About 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 110223879) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID110223879
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(Cn2ccc3ncccc32)CC2CCC(C1)N2CC1CCOC1
InChIInChI=1S/C20H27N3O2/c24-20(14-22-8-5-18-19(22)2-1-7-21-18)10-16-3-4-17(11-20)23(16)12-15-6-9-25-13-15/h1-2,5,7-8,15-17,24H,3-4,6,9-14H2
InChIKeyPAUNFRLUKWJKCJ-UHFFFAOYSA-N
XLogP2.43
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1R,5R)-8-(pyridin-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98074356
(1R,5R)-8-[[2-(difluoromethoxy)phenyl]methyl]-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98074369
1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridine;hydrochloride
CID 158417064
(1R,5R)-8-(pyridin-3-ylmethyl)-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98063435
3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164786
1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 124842283
1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
CID 156848421
(1S,5R)-8-[(2-fluorophenyl)methyl]-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 92572740
2-(oxolan-3-yl)-1-quinolin-6-ylethanone
CID 103986220
3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
2-ethyl-3-[[4-hydroxy-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 92589259
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 94030793

Frequently Asked Questions

What is the IUPAC name of 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 110223879) is 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(Cn2ccc3ncccc32)CC2CCC(C1)N2CC1CCOC1.
What is the InChIKey of 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is PAUNFRLUKWJKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-20(14-22-8-5-18-19(22)2-1-7-21-18)10-16-3-4-17(11-20)23(16)12-15-6-9-25-13-15/h1-2,5,7-8,15-17,24H,3-4,6,9-14H2.
What are the key properties of 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 341.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolan-3-ylmethyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 110223879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).