(6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C23H26N2O2 — CID 176842300

IUPAC(6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESCOc1cc(C)c2[nH]ccc2c1CN1C[C@@H]2COCC2C1c1ccccc1
InChIInChI=1S/C23H26N2O2/c1-15-10-21(26-2)19(18-8-9-24-22(15)18)12-25-11-17-13-27-14-20(17)23(25)16-6-4-3-5-7-16/h3-10,17,20,23-24H,11-14H2,1-2H3/t17-,20?,23?/m1/s1
InChIKeyYCQBUAKCJBVBTL-WMAFBANVSA-N
MW362.47 g/mol
LogP4.30
Rot. Bonds4

About (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

(6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 176842300) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name(6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID176842300
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESCOc1cc(C)c2[nH]ccc2c1CN1C[C@@H]2COCC2C1c1ccccc1
InChIInChI=1S/C23H26N2O2/c1-15-10-21(26-2)19(18-8-9-24-22(15)18)12-25-11-17-13-27-14-20(17)23(25)16-6-4-3-5-7-16/h3-10,17,20,23-24H,11-14H2,1-2H3/t17-,20?,23?/m1/s1
InChIKeyYCQBUAKCJBVBTL-WMAFBANVSA-N
XLogP4.30
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole with MolForge

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Related Compounds

7-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8-phenyl-2-oxa-7-azaspiro[4.4]nonane
CID 176842269
4-[3-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]benzoic acid
CID 176842206
4-[8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-7-yl]benzoic acid
CID 171840789
benzoic acid;4-[(4-cyclopropylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 166158520
4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(oxetan-3-ylamino)piperidin-2-yl]benzoic acid
CID 166158220
4-[(2R,4S)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(oxetan-3-yloxy)piperidin-2-yl]benzoic acid
CID 166158356
4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]azepan-2-yl]benzoic acid
CID 90466744
4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperazin-2-yl]benzoic acid
CID 166460827
4-[4-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1,4-oxazecan-5-yl]benzoic acid
CID 174345665
4-[(2R,4R)-4-cyclopropyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158625
4-[(1S,2S,6R,10S)-11-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-8,11-diazatricyclo[6.4.0.02,6]dodecan-10-yl]benzoic acid
CID 178167237
4-[(2S,4S)-4-cyclobutyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158652

Frequently Asked Questions

What is the IUPAC name of (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 176842300) is (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is COc1cc(C)c2[nH]ccc2c1CN1C[C@@H]2COCC2C1c1ccccc1.
What is the InChIKey of (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is YCQBUAKCJBVBTL-WMAFBANVSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-10-21(26-2)19(18-8-9-24-22(15)18)12-25-11-17-13-27-14-20(17)23(25)16-6-4-3-5-7-16/h3-10,17,20,23-24H,11-14H2,1-2H3/t17-,20?,23?/m1/s1.
What are the key properties of (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
(6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 362.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-5-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-phenyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 176842300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).