1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

C25H31FN4O2 — CID 95812324

IUPAC1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESCc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)n1
InChIInChI=1S/C25H31FN4O2/c1-18-15-22(28-21-10-8-20(26)9-11-21)16-23(27-18)19-5-2-14-30(17-19)25(32)7-4-13-29-12-3-6-24(29)31/h8-11,15-16,19H,2-7,12-14,17H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyFJEKGEXKXLOOOZ-IBGZPJMESA-N
MW438.55 g/mol
LogP4.38
Rot. Bonds7

About 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one (PubChem CID 95812324) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
PubChem CID95812324
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESCc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)n1
InChIInChI=1S/C25H31FN4O2/c1-18-15-22(28-21-10-8-20(26)9-11-21)16-23(27-18)19-5-2-14-30(17-19)25(32)7-4-13-29-12-3-6-24(29)31/h8-11,15-16,19H,2-7,12-14,17H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyFJEKGEXKXLOOOZ-IBGZPJMESA-N
XLogP4.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one 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

1-[4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 91841866
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
1-[2-[2-[(3R)-3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834932
6-ethyl-5-methyl-2-[1-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214677
3-chloro-1-[3-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 175661425
1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023472
N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine
CID 124998034
1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 110088969
1-[3-[2-(4-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 53140052
N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
CID 110088790
1-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110264963
2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 110088939

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one (CID 95812324) is 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one is Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)n1.
What is the InChIKey of 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The InChIKey is FJEKGEXKXLOOOZ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-18-15-22(28-21-10-8-20(26)9-11-21)16-23(27-18)19-5-2-14-30(17-19)25(32)7-4-13-29-12-3-6-24(29)31/h8-11,15-16,19H,2-7,12-14,17H2,1H3,(H,27,28)/t19-/m0/s1.
What are the key properties of 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one has a molecular weight of 438.55 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 95812324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).