2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide

C24H29F2N5O — CID 175720837

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide
SMILESCc1cc(-c2cccc(C(N)=O)c2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C24H29F2N5O/c1-16-15-19(29-22(28-16)31-13-9-24(25,26)10-14-31)17-3-2-4-18(21(27)32)20(17)30-11-7-23(5-6-23)8-12-30/h2-4,15H,5-14H2,1H3,(H2,27,32)
InChIKeyJREMHUPWFYCWAN-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.17
Rot. Bonds4

About 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide (PubChem CID 175720837) has the molecular formula C24H29F2N5O and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide
PubChem CID175720837
Molecular FormulaC24H29F2N5O
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide
SMILESCc1cc(-c2cccc(C(N)=O)c2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C24H29F2N5O/c1-16-15-19(29-22(28-16)31-13-9-24(25,26)10-14-31)17-3-2-4-18(21(27)32)20(17)30-11-7-23(5-6-23)8-12-30/h2-4,15H,5-14H2,1H3,(H2,27,32)
InChIKeyJREMHUPWFYCWAN-UHFFFAOYSA-N
XLogP4.17
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]cyclohexa-1,5-diene-1,4-dicarboxamide
CID 154941929
3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-1,3,4-oxadiazol-2-yl]-N-methylbenzenesulfonamide
CID 172634280
4-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-2-methylpyrimidine-5-carboxamide
CID 162616513
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-(1-hydroxypropan-2-ylsulfanyl)benzamide
CID 147970166
2-[[3-[2-(6-azaspiro[2.5]octan-6-yl)-4-iodophenyl]-5-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-1,2,4-triazol-4-yl]methoxy]ethyl-trimethylsilane
CID 170573234
N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]triazol-1-yl]phenyl]ethanesulfonamide
CID 169266622
2-(8-azaspiro[4.5]decan-8-yl)-3-methylbenzenecarbothioamide
CID 107108256
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 146525770
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-4-iodobenzoic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 157264484
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-iodobenzoyl]-2-(3,3-difluoroazetidin-1-yl)-6-methylpyrimidine-4-carbohydrazide
CID 176849364
2-(4,4-difluoropiperidin-1-yl)-4-isocyano-6-methylpyrimidine
CID 177282932

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide (CID 175720837) is 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide is Cc1cc(-c2cccc(C(N)=O)c2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide?
The InChIKey is JREMHUPWFYCWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O/c1-16-15-19(29-22(28-16)31-13-9-24(25,26)10-14-31)17-3-2-4-18(21(27)32)20(17)30-11-7-23(5-6-23)8-12-30/h2-4,15H,5-14H2,1H3,(H2,27,32).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-3-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]benzamide is sourced from PubChem (CID 175720837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).