1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one

C25H24Cl2N4O — CID 54186801

IUPAC1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccc(Cl)cc2)C12CCN(Cc1cc(-c3ccc(Cl)cc3)ccn1)CC2
InChIInChI=1S/C25H24Cl2N4O/c26-20-3-1-18(2-4-20)19-9-12-28-22(15-19)16-30-13-10-25(11-14-30)24(32)29-17-31(25)23-7-5-21(27)6-8-23/h1-9,12,15H,10-11,13-14,16-17H2,(H,29,32)
InChIKeyPFQNTELHUAMPEV-UHFFFAOYSA-N
MW467.40 g/mol
LogP4.98
Rot. Bonds4

About 1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one

1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 54186801) has the molecular formula C25H24Cl2N4O and a molecular weight of 467.40 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID54186801
Molecular FormulaC25H24Cl2N4O
Molecular Weight467.40 g/mol
Exact Mass466.13
IUPAC Name1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccc(Cl)cc2)C12CCN(Cc1cc(-c3ccc(Cl)cc3)ccn1)CC2
InChIInChI=1S/C25H24Cl2N4O/c26-20-3-1-18(2-4-20)19-9-12-28-22(15-19)16-30-13-10-25(11-14-30)24(32)29-17-31(25)23-7-5-21(27)6-8-23/h1-9,12,15H,10-11,13-14,16-17H2,(H,29,32)
InChIKeyPFQNTELHUAMPEV-UHFFFAOYSA-N
XLogP4.98
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 54296121
8-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 54025158
8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 22022233
8-butyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 123914569
8-(2-aminoethyl)-1-(3,4-difluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 46939133
8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
2-amino-N-[2-[1-(4-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluorobenzamide
CID 21428870
8-(1λ3-iodacyclohexa-1,3,5-trien-4-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 154012135
2-chloro-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428852
8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 3045886
3-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 3688277
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 54186801) is 1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccc(Cl)cc2)C12CCN(Cc1cc(-c3ccc(Cl)cc3)ccn1)CC2.
What is the InChIKey of 1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is PFQNTELHUAMPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O/c26-20-3-1-18(2-4-20)19-9-12-28-22(15-19)16-30-13-10-25(11-14-30)24(32)29-17-31(25)23-7-5-21(27)6-8-23/h1-9,12,15H,10-11,13-14,16-17H2,(H,29,32).
What are the key properties of 1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 467.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-[[4-(4-chlorophenyl)-2-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 54186801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).