2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide

C31H33FN4O2 — CID 59505335

IUPAC2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(Cc1ccccc1F)N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21
InChIInChI=1S/C31H33FN4O2/c32-27-4-2-1-3-23(27)20-29(37)34-28-8-7-22-5-6-24(19-26(22)28)30(38)36-18-13-31(21-36)11-16-35(17-12-31)25-9-14-33-15-10-25/h1-6,9-10,14-15,19,28H,7-8,11-13,16-18,20-21H2,(H,34,37)/t28-/m1/s1
InChIKeyDWBXEAHGBRIOSE-MUUNZHRXSA-N
MW512.63 g/mol
LogP4.70
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide

2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 59505335) has the molecular formula C31H33FN4O2 and a molecular weight of 512.63 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID59505335
Molecular FormulaC31H33FN4O2
Molecular Weight512.63 g/mol
Exact Mass512.26
IUPAC Name2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(Cc1ccccc1F)N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21
InChIInChI=1S/C31H33FN4O2/c32-27-4-2-1-3-23(27)20-29(37)34-28-8-7-22-5-6-24(19-26(22)28)30(38)36-18-13-31(21-36)11-16-35(17-12-31)25-9-14-33-15-10-25/h1-6,9-10,14-15,19,28H,7-8,11-13,16-18,20-21H2,(H,34,37)/t28-/m1/s1
InChIKeyDWBXEAHGBRIOSE-MUUNZHRXSA-N
XLogP4.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 59505335) is 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide is O=C(Cc1ccccc1F)N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is DWBXEAHGBRIOSE-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H33FN4O2/c32-27-4-2-1-3-23(27)20-29(37)34-28-8-7-22-5-6-24(19-26(22)28)30(38)36-18-13-31(21-36)11-16-35(17-12-31)25-9-14-33-15-10-25/h1-6,9-10,14-15,19,28H,7-8,11-13,16-18,20-21H2,(H,34,37)/t28-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide?
2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 512.63 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 59505335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).