N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide

C27H30FN5O2 — CID 20750002

IUPACN-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC1=NC2CCc3cc(F)ccc3C2C1
InChIInChI=1S/C27H30FN5O2/c28-19-7-8-21-18(14-19)6-9-23-22(21)15-24(30-23)31-25(34)16-32-12-10-27(11-13-32)26(35)29-17-33(27)20-4-2-1-3-5-20/h1-5,7-8,14,22-23H,6,9-13,15-17H2,(H,29,35)(H,30,31,34)
InChIKeyGOXBIUGAVJGUDG-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.57
Rot. Bonds3

About N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide

N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide (PubChem CID 20750002) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide
PubChem CID20750002
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC NameN-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC1=NC2CCc3cc(F)ccc3C2C1
InChIInChI=1S/C27H30FN5O2/c28-19-7-8-21-18(14-19)6-9-23-22(21)15-24(30-23)31-25(34)16-32-12-10-27(11-13-32)26(35)29-17-33(27)20-4-2-1-3-5-20/h1-5,7-8,14,22-23H,6,9-13,15-17H2,(H,29,35)(H,30,31,34)
InChIKeyGOXBIUGAVJGUDG-UHFFFAOYSA-N
XLogP2.57
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide (CID 20750002) is N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide is O=C(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC1=NC2CCc3cc(F)ccc3C2C1.
What is the InChIKey of N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is GOXBIUGAVJGUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2/c28-19-7-8-21-18(14-19)6-9-23-22(21)15-24(30-23)31-25(34)16-32-12-10-27(11-13-32)26(35)29-17-33(27)20-4-2-1-3-5-20/h1-5,7-8,14,22-23H,6,9-13,15-17H2,(H,29,35)(H,30,31,34).
What are the key properties of N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide?
N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 475.57 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 20750002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).