2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol

C28H34N4O — CID 164997557

IUPAC2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol
SMILESC[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2ccc(NC3CN(CCO)C3)nc2)N1C12CC(C1)C2
InChIInChI=1S/C28H34N4O/c1-18-10-24-23-5-3-2-4-20(23)11-25(24)27(32(18)28-12-19(13-28)14-28)21-6-7-26(29-15-21)30-22-16-31(17-22)8-9-33/h2-7,15,18-19,22,27,33H,8-14,16-17H2,1H3,(H,29,30)/t18-,19?,27-,28?/m1/s1
InChIKeyGFWDUAOZBZRFJK-QWMXRCOESA-N
MW442.61 g/mol
LogP3.87
Rot. Bonds6

About 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol

2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol (PubChem CID 164997557) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol
PubChem CID164997557
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol
SMILESC[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2ccc(NC3CN(CCO)C3)nc2)N1C12CC(C1)C2
InChIInChI=1S/C28H34N4O/c1-18-10-24-23-5-3-2-4-20(23)11-25(24)27(32(18)28-12-19(13-28)14-28)21-6-7-26(29-15-21)30-22-16-31(17-22)8-9-33/h2-7,15,18-19,22,27,33H,8-14,16-17H2,1H3,(H,29,30)/t18-,19?,27-,28?/m1/s1
InChIKeyGFWDUAOZBZRFJK-QWMXRCOESA-N
XLogP3.87
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol?
The IUPAC name of 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol (CID 164997557) is 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol is C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2ccc(NC3CN(CCO)C3)nc2)N1C12CC(C1)C2.
What is the InChIKey of 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol?
The InChIKey is GFWDUAOZBZRFJK-QWMXRCOESA-N. The full InChI is InChI=1S/C28H34N4O/c1-18-10-24-23-5-3-2-4-20(23)11-25(24)27(32(18)28-12-19(13-28)14-28)21-6-7-26(29-15-21)30-22-16-31(17-22)8-9-33/h2-7,15,18-19,22,27,33H,8-14,16-17H2,1H3,(H,29,30)/t18-,19?,27-,28?/m1/s1.
What are the key properties of 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol?
2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol has a molecular weight of 442.61 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-[(1S,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]-2-pyridinyl]amino]azetidin-1-yl]ethanol is sourced from PubChem (CID 164997557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).