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

C30H31FN4O2 — CID 59505662

IUPAC2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1F
InChIInChI=1S/C30H31FN4O2/c31-26-4-2-1-3-24(26)28(36)33-27-8-7-21-5-6-22(19-25(21)27)29(37)35-18-13-30(20-35)11-16-34(17-12-30)23-9-14-32-15-10-23/h1-6,9-10,14-15,19,27H,7-8,11-13,16-18,20H2,(H,33,36)/t27-/m1/s1
InChIKeyNXHJKHRENAJAMH-HHHXNRCGSA-N
MW498.60 g/mol
LogP4.77
Rot. Bonds4

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

2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 59505662) has the molecular formula C30H31FN4O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is 2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID59505662
Molecular FormulaC30H31FN4O2
Molecular Weight498.60 g/mol
Exact Mass498.24
IUPAC Name2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1F
InChIInChI=1S/C30H31FN4O2/c31-26-4-2-1-3-24(26)28(36)33-27-8-7-21-5-6-22(19-25(21)27)29(37)35-18-13-30(20-35)11-16-34(17-12-30)23-9-14-32-15-10-23/h1-6,9-10,14-15,19,27H,7-8,11-13,16-18,20H2,(H,33,36)/t27-/m1/s1
InChIKeyNXHJKHRENAJAMH-HHHXNRCGSA-N
XLogP4.77
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 59505662) is 2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is NXHJKHRENAJAMH-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H31FN4O2/c31-26-4-2-1-3-24(26)28(36)33-27-8-7-21-5-6-22(19-25(21)27)29(37)35-18-13-30(20-35)11-16-34(17-12-30)23-9-14-32-15-10-23/h1-6,9-10,14-15,19,27H,7-8,11-13,16-18,20H2,(H,33,36)/t27-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?
2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 498.60 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 59505662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).