4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine

C23H24N6O2 — CID 176504481

IUPAC4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine
SMILESCO[C@@H]1C[C@H]2CN(c3nccc4occc34)C[C@H]2C[C@H]1n1cc(-c2ccncc2)nn1
InChIInChI=1S/C23H24N6O2/c1-30-22-11-17-13-28(23-18-5-9-31-21(18)4-8-25-23)12-16(17)10-20(22)29-14-19(26-27-29)15-2-6-24-7-3-15/h2-9,14,16-17,20,22H,10-13H2,1H3/t16-,17+,20-,22-/m1/s1
InChIKeyZOPBBPXDEIYMCR-IMLKGASGSA-N
MW416.49 g/mol
LogP3.58
Rot. Bonds4

About 4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine

4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine (PubChem CID 176504481) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine
PubChem CID176504481
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine
SMILESCO[C@@H]1C[C@H]2CN(c3nccc4occc34)C[C@H]2C[C@H]1n1cc(-c2ccncc2)nn1
InChIInChI=1S/C23H24N6O2/c1-30-22-11-17-13-28(23-18-5-9-31-21(18)4-8-25-23)12-16(17)10-20(22)29-14-19(26-27-29)15-2-6-24-7-3-15/h2-9,14,16-17,20,22H,10-13H2,1H3/t16-,17+,20-,22-/m1/s1
InChIKeyZOPBBPXDEIYMCR-IMLKGASGSA-N
XLogP3.58
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine
CID 121185299
2-[(3aR,5R,6R,7aS)-5-(cyclopropylmethoxy)-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetic acid
CID 176500127
6-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-phenyltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-N-methylpyridine-3-carboxamide
CID 176500108
4-(2,6-dimethylmorpholin-4-yl)furo[3,2-c]pyridine
CID 123630821
4-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]furo[3,2-c]pyridine
CID 138039104
1-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-phenyltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 176505202
N-[(3aS,5R,6R,7aR)-6-(cyclopropylmethoxy)-2-furo[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172667004
(3aR,5R,6R,7aS)-5-(cyclopropylmethoxy)-6-[4-(4-methylphenyl)triazol-1-yl]-2-(pyrazin-2-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 176503600
[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-2-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-thiophen-3-ylmethanone
CID 175646200
4-[(3R)-3-methylpiperazin-1-yl]furo[3,2-c]pyridine
CID 106535397
(3R)-1-furo[3,2-c]pyridin-4-ylpyrrolidin-3-amine
CID 129414537
4-(3-piperazin-1-ylazetidin-1-yl)furo[3,2-c]pyridine
CID 106535332

Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine?
The IUPAC name of 4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine (CID 176504481) is 4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine?
The canonical SMILES for 4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine is CO[C@@H]1C[C@H]2CN(c3nccc4occc34)C[C@H]2C[C@H]1n1cc(-c2ccncc2)nn1.
What is the InChIKey of 4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine?
The InChIKey is ZOPBBPXDEIYMCR-IMLKGASGSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-30-22-11-17-13-28(23-18-5-9-31-21(18)4-8-25-23)12-16(17)10-20(22)29-14-19(26-27-29)15-2-6-24-7-3-15/h2-9,14,16-17,20,22H,10-13H2,1H3/t16-,17+,20-,22-/m1/s1.
What are the key properties of 4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine?
4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine has a molecular weight of 416.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aR,5R,6R,7aS)-5-methoxy-6-(4-pyridin-4-yltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]furo[3,2-c]pyridine is sourced from PubChem (CID 176504481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).