[(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol

C16H21N3O2 — CID 162630546

IUPAC[(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol
SMILESCc1ccc2nc(CN3C[C@H]4COC[C@@]4(CO)C3)cn2c1
InChIInChI=1S/C16H21N3O2/c1-12-2-3-15-17-14(7-19(15)4-12)6-18-5-13-8-21-11-16(13,9-18)10-20/h2-4,7,13,20H,5-6,8-11H2,1H3/t13-,16-/m0/s1
InChIKeyIVGCBOBOFMCSPN-BBRMVZONSA-N
MW287.36 g/mol
LogP1.08
Rot. Bonds3

About [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol

[(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 162630546) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID162630546
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol
SMILESCc1ccc2nc(CN3C[C@H]4COC[C@@]4(CO)C3)cn2c1
InChIInChI=1S/C16H21N3O2/c1-12-2-3-15-17-14(7-19(15)4-12)6-18-5-13-8-21-11-16(13,9-18)10-20/h2-4,7,13,20H,5-6,8-11H2,1H3/t13-,16-/m0/s1
InChIKeyIVGCBOBOFMCSPN-BBRMVZONSA-N
XLogP1.08
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol (CID 162630546) is [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol is Cc1ccc2nc(CN3C[C@H]4COC[C@@]4(CO)C3)cn2c1.
What is the InChIKey of [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is IVGCBOBOFMCSPN-BBRMVZONSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-2-3-15-17-14(7-19(15)4-12)6-18-5-13-8-21-11-16(13,9-18)10-20/h2-4,7,13,20H,5-6,8-11H2,1H3/t13-,16-/m0/s1.
What are the key properties of [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol?
[(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 287.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 162630546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).