8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C43H44ClF3N10O6 — CID 158938388

IUPAC8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESNc1ccc(N2CCC3(CCNC3=O)CC2)nc1.O=C(Cc1ccc(N2CCC3(CCNC3=O)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C25H23F3N4O3.C13H18N4O.C5H3ClN2O2/c26-25(27,28)21-20(35-22(31-21)17-4-2-1-3-5-17)18(33)14-16-6-7-19(30-15-16)32-12-9-24(10-13-32)8-11-29-23(24)34;14-10-1-2-11(16-9-10)17-7-4-13(5-8-17)3-6-15-12(13)18;6-5-2-1-4(3-7-5)8(9)10/h1-7,15H,8-14H2,(H,29,34);1-2,9H,3-8,14H2,(H,15,18);1-3H
InChIKeyJJXZSLUQPCAMCM-UHFFFAOYSA-N
MW889.34 g/mol
LogP6.70
Rot. Bonds7

About 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 158938388) has the molecular formula C43H44ClF3N10O6 and a molecular weight of 889.34 g/mol. Its IUPAC name is 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID158938388
Molecular FormulaC43H44ClF3N10O6
Molecular Weight889.34 g/mol
Exact Mass888.31
IUPAC Name8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESNc1ccc(N2CCC3(CCNC3=O)CC2)nc1.O=C(Cc1ccc(N2CCC3(CCNC3=O)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C25H23F3N4O3.C13H18N4O.C5H3ClN2O2/c26-25(27,28)21-20(35-22(31-21)17-4-2-1-3-5-17)18(33)14-16-6-7-19(30-15-16)32-12-9-24(10-13-32)8-11-29-23(24)34;14-10-1-2-11(16-9-10)17-7-4-13(5-8-17)3-6-15-12(13)18;6-5-2-1-4(3-7-5)8(9)10/h1-7,15H,8-14H2,(H,29,34);1-2,9H,3-8,14H2,(H,15,18);1-3H
InChIKeyJJXZSLUQPCAMCM-UHFFFAOYSA-N
XLogP6.70
TPSA215.61 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.34
LogP ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[4-(3-Chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58431682
N-(6-(4-(3-chloropyridin-2-yl)piperazin-1-yl)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 67409540
3-[1-(5-amino-2-pyridinyl)piperidin-4-yl]-1H-benzimidazol-2-one;3-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1H-benzimidazol-2-one
CID 123169589
2-[6-[4-[2-(2,6-Dichlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-nitrophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 123589137
2-[6-[4-[2-(2-Chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 123616370
2-[6-[4-(1,3-Benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 123759213
2-[6-[4-[2-(2-Chlorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 123884877
4-(5-Amino-2-pyridinyl)-1-benzylpiperazin-2-one;1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one;1-benzyl-4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-2-one;2-chloro-5-nitropyridine;4-(5-nitro-2-pyridinyl)piperazin-2-one;piperazin-2-one
CID 157052279
Tert-butyl 4-(5-amino-2-pyridinyl)-1,4-diazepane-1-carboxylate;tert-butyl 4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]-1,4-diazepane-1-carboxylate;2-chloro-5-nitropyridine;2-[6-[4-[2-(2-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;2-[6-(1,4-diazepan-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone
CID 157067980
1-(5-Amino-2-pyridinyl)piperidin-4-one;2-chloro-5-nitropyridine;1-(5-nitro-2-pyridinyl)piperidin-4-one;1-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethyl]-2-pyridinyl]piperidin-4-one;piperidin-4-one
CID 157407541
3-[1-(5-amino-2-pyridinyl)piperidin-4-yl]-1H-benzimidazol-2-one;2-chloro-5-nitropyridine;3-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 157859874
2-chloro-5-nitropyridine;ethyl 7-(5-amino-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;ethyl 7-(5-nitro-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;ethyl 7-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
CID 158182739

Frequently Asked Questions

What is the IUPAC name of 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 158938388) is 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Nc1ccc(N2CCC3(CCNC3=O)CC2)nc1.O=C(Cc1ccc(N2CCC3(CCNC3=O)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.O=[N+]([O-])c1ccc(Cl)nc1.
What is the InChIKey of 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JJXZSLUQPCAMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3.C13H18N4O.C5H3ClN2O2/c26-25(27,28)21-20(35-22(31-21)17-4-2-1-3-5-17)18(33)14-16-6-7-19(30-15-16)32-12-9-24(10-13-32)8-11-29-23(24)34;14-10-1-2-11(16-9-10)17-7-4-13(5-8-17)3-6-15-12(13)18;6-5-2-1-4(3-7-5)8(9)10/h1-7,15H,8-14H2,(H,29,34);1-2,9H,3-8,14H2,(H,15,18);1-3H.
What are the key properties of 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 889.34 g/mol, XLogP of 6.70, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-2-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;2-chloro-5-nitropyridine;8-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 158938388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).