6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine

C14H17N3O — CID 66757929

IUPAC6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine
SMILESc1cc2ncc(N3CC[C@H]4NCC[C@H]4C3)cc2o1
InChIInChI=1S/C14H17N3O/c1-4-15-12-2-5-17(9-10(1)12)11-7-14-13(16-8-11)3-6-18-14/h3,6-8,10,12,15H,1-2,4-5,9H2/t10-,12+/m0/s1
InChIKeyLBMIZQSULCGOEA-CMPLNLGQSA-N
MW243.31 g/mol
LogP2.02
Rot. Bonds1

About 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine

6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine (PubChem CID 66757929) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine
PubChem CID66757929
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine
SMILESc1cc2ncc(N3CC[C@H]4NCC[C@H]4C3)cc2o1
InChIInChI=1S/C14H17N3O/c1-4-15-12-2-5-17(9-10(1)12)11-7-14-13(16-8-11)3-6-18-14/h3,6-8,10,12,15H,1-2,4-5,9H2/t10-,12+/m0/s1
InChIKeyLBMIZQSULCGOEA-CMPLNLGQSA-N
XLogP2.02
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine with MolForge

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Related Compounds

(3aR,7aS)-5-(6-chloro-3-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 87137256
6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine
CID 66757582
(3aS,7aR)-5-(6-chloro-5-methyl-3-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 87137681
5-(6-chloro-5-fluoro-3-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 22646988
(3aR,7aS)-5-(6-chloro-5-methyl-3-pyridinyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 87137682
6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine
CID 66758095
6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 22646910
6-(6-chloro-5-fluoro-3-pyridinyl)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[2,3-d]azepine
CID 22646878
(6aS)-5-(5,6-dichloro-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;hydrochloride
CID 87785000
2-[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]quinoxaline
CID 166266864
(3aR,8aS)-7-(6-chloro-3-pyridinyl)-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine
CID 87137387
(4aR,7aR)-6-(6-chloro-3-pyridinyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
CID 87137232

Frequently Asked Questions

What is the IUPAC name of 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine?
The IUPAC name of 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine (CID 66757929) is 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine?
The canonical SMILES for 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine is c1cc2ncc(N3CC[C@H]4NCC[C@H]4C3)cc2o1.
What is the InChIKey of 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine?
The InChIKey is LBMIZQSULCGOEA-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-15-12-2-5-17(9-10(1)12)11-7-14-13(16-8-11)3-6-18-14/h3,6-8,10,12,15H,1-2,4-5,9H2/t10-,12+/m0/s1.
What are the key properties of 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine?
6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine has a molecular weight of 243.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 66757929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).