2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione

C24H24ClFN4O3 — CID 167676251

IUPAC2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione
SMILESCC(=O)N1CC2(C1)CC1(C2)C(=O)N(c2ncc(C)cc2F)CC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H24ClFN4O3/c1-15-7-19(26)21(27-8-15)29-10-20(32)30(9-17-3-5-18(25)6-4-17)24(22(29)33)11-23(12-24)13-28(14-23)16(2)31/h3-8H,9-14H2,1-2H3
InChIKeyUVXVIABWJBSGKV-UHFFFAOYSA-N
MW470.93 g/mol
LogP2.94
Rot. Bonds3

About 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione

2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione (PubChem CID 167676251) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione.

Molecular Properties

Compound Name2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione
PubChem CID167676251
Molecular FormulaC24H24ClFN4O3
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione
SMILESCC(=O)N1CC2(C1)CC1(C2)C(=O)N(c2ncc(C)cc2F)CC(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H24ClFN4O3/c1-15-7-19(26)21(27-8-15)29-10-20(32)30(9-17-3-5-18(25)6-4-17)24(22(29)33)11-23(12-24)13-28(14-23)16(2)31/h3-8H,9-14H2,1-2H3
InChIKeyUVXVIABWJBSGKV-UHFFFAOYSA-N
XLogP2.94
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione?
The IUPAC name of 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione (CID 167676251) is 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione.
What is the SMILES notation for 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione?
The canonical SMILES for 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione is CC(=O)N1CC2(C1)CC1(C2)C(=O)N(c2ncc(C)cc2F)CC(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione?
The InChIKey is UVXVIABWJBSGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c1-15-7-19(26)21(27-8-15)29-10-20(32)30(9-17-3-5-18(25)6-4-17)24(22(29)33)11-23(12-24)13-28(14-23)16(2)31/h3-8H,9-14H2,1-2H3.
What are the key properties of 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione?
2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione has a molecular weight of 470.93 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-11-[(4-chlorophenyl)methyl]-8-(3-fluoro-5-methyl-2-pyridinyl)-2,8,11-triazadispiro[3.1.56.14]dodecane-7,10-dione is sourced from PubChem (CID 167676251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).