2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol

C20H29N3O3 — CID 118786967

IUPAC2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol
SMILESCO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1cn3cc(C)ccc3n1)CC2
InChIInChI=1S/C20H29N3O3/c1-15-3-4-19-21-16(14-23(19)12-15)13-22-8-7-20(25-2)6-5-17(11-18(20)22)26-10-9-24/h3-4,12,14,17-18,24H,5-11,13H2,1-2H3/t17-,18+,20-/m1/s1
InChIKeyZGNXASAQPREBMC-WSTZPKSXSA-N
MW359.47 g/mol
LogP2.16
Rot. Bonds6

About 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol

2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol (PubChem CID 118786967) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol
PubChem CID118786967
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol
SMILESCO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1cn3cc(C)ccc3n1)CC2
InChIInChI=1S/C20H29N3O3/c1-15-3-4-19-21-16(14-23(19)12-15)13-22-8-7-20(25-2)6-5-17(11-18(20)22)26-10-9-24/h3-4,12,14,17-18,24H,5-11,13H2,1-2H3/t17-,18+,20-/m1/s1
InChIKeyZGNXASAQPREBMC-WSTZPKSXSA-N
XLogP2.16
TPSA59.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol?
The IUPAC name of 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol (CID 118786967) is 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol.
What is the SMILES notation for 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol?
The canonical SMILES for 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol is CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1cn3cc(C)ccc3n1)CC2.
What is the InChIKey of 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol?
The InChIKey is ZGNXASAQPREBMC-WSTZPKSXSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-3-4-19-21-16(14-23(19)12-15)13-22-8-7-20(25-2)6-5-17(11-18(20)22)26-10-9-24/h3-4,12,14,17-18,24H,5-11,13H2,1-2H3/t17-,18+,20-/m1/s1.
What are the key properties of 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol?
2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol has a molecular weight of 359.47 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,6R,7aS)-3a-methoxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]oxy]ethanol is sourced from PubChem (CID 118786967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).