8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C37H37FN8O6 — CID 159583757

IUPAC8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(-c2ccnc(N3CCC4(CC3)NC(=O)NC4=O)c2)c1.O=C1NC(=O)C2(CCN(c3ncccc3Oc3ccc(F)cc3)CC2)N1
InChIInChI=1S/C19H20N4O3.C18H17FN4O3/c1-26-15-4-2-3-13(11-15)14-5-8-20-16(12-14)23-9-6-19(7-10-23)17(24)21-18(25)22-19;19-12-3-5-13(6-4-12)26-14-2-1-9-20-15(14)23-10-7-18(8-11-23)16(24)21-17(25)22-18/h2-5,8,11-12H,6-7,9-10H2,1H3,(H2,21,22,24,25);1-6,9H,7-8,10-11H2,(H2,21,22,24,25)
InChIKeyMJISESNQDPRPIA-UHFFFAOYSA-N
MW708.75 g/mol
LogP4.13
Rot. Bonds6

About 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 159583757) has the molecular formula C37H37FN8O6 and a molecular weight of 708.75 g/mol. Its IUPAC name is 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID159583757
Molecular FormulaC37H37FN8O6
Molecular Weight708.75 g/mol
Exact Mass708.28
IUPAC Name8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(-c2ccnc(N3CCC4(CC3)NC(=O)NC4=O)c2)c1.O=C1NC(=O)C2(CCN(c3ncccc3Oc3ccc(F)cc3)CC2)N1
InChIInChI=1S/C19H20N4O3.C18H17FN4O3/c1-26-15-4-2-3-13(11-15)14-5-8-20-16(12-14)23-9-6-19(7-10-23)17(24)21-18(25)22-19;19-12-3-5-13(6-4-12)26-14-2-1-9-20-15(14)23-10-7-18(8-11-23)16(24)21-17(25)22-18/h2-5,8,11-12H,6-7,9-10H2,1H3,(H2,21,22,24,25);1-6,9H,7-8,10-11H2,(H2,21,22,24,25)
InChIKeyMJISESNQDPRPIA-UHFFFAOYSA-N
XLogP4.13
TPSA167.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500708.75
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

US20230303513, Example 51
CID 169075837
US20230303513, Example 66
CID 169075863
8-[4-[3-(Trifluoromethoxy)phenyl]pyridin-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 117928810
8-(5-(4-Fluorophenoxy)pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 117928996
8-[5-[4-(Trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 117929370
8-[5-[3-(Trifluoromethyl)phenoxy]pyridin-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 117929400
8-(3-(4-Fluorophenoxy)pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 117928769
US20240116947, Example 33
CID 162441374
US20240116947, Example 34
CID 162441375
US20240116947, Example 52
CID 162441419
4-[3-[[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]pyridin-4-yl]methoxy]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10258212
N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-[3-[[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]pyridin-4-yl]methoxy]pyridin-2-yl]piperazine-1-carboxamide
CID 10416564

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 159583757) is 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cccc(-c2ccnc(N3CCC4(CC3)NC(=O)NC4=O)c2)c1.O=C1NC(=O)C2(CCN(c3ncccc3Oc3ccc(F)cc3)CC2)N1.
What is the InChIKey of 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MJISESNQDPRPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3.C18H17FN4O3/c1-26-15-4-2-3-13(11-15)14-5-8-20-16(12-14)23-9-6-19(7-10-23)17(24)21-18(25)22-19;19-12-3-5-13(6-4-12)26-14-2-1-9-20-15(14)23-10-7-18(8-11-23)16(24)21-17(25)22-18/h2-5,8,11-12H,6-7,9-10H2,1H3,(H2,21,22,24,25);1-6,9H,7-8,10-11H2,(H2,21,22,24,25).
What are the key properties of 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 708.75 g/mol, XLogP of 4.13, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-fluorophenoxy)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[4-(3-methoxyphenyl)-2-pyridinyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 159583757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).