1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one

C23H26F2N4O3 — CID 71252546

IUPAC1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3c(F)cc(N4C(=O)CCC4CO)cc3F)CC2)c(C)c1
InChIInChI=1S/C23H26F2N4O3/c1-14-9-15(2)22(26-12-14)27-5-7-28(8-6-27)23(32)21-18(24)10-17(11-19(21)25)29-16(13-30)3-4-20(29)31/h9-12,16,30H,3-8,13H2,1-2H3
InChIKeySKVXNTIGCHJLTA-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one

1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 71252546) has the molecular formula C23H26F2N4O3 and a molecular weight of 444.48 g/mol. Its IUPAC name is 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID71252546
Molecular FormulaC23H26F2N4O3
Molecular Weight444.48 g/mol
Exact Mass444.20
IUPAC Name1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3c(F)cc(N4C(=O)CCC4CO)cc3F)CC2)c(C)c1
InChIInChI=1S/C23H26F2N4O3/c1-14-9-15(2)22(26-12-14)27-5-7-28(8-6-27)23(32)21-18(24)10-17(11-19(21)25)29-16(13-30)3-4-20(29)31/h9-12,16,30H,3-8,13H2,1-2H3
InChIKeySKVXNTIGCHJLTA-UHFFFAOYSA-N
XLogP2.43
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]piperidin-2-one
CID 71252543
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67382286
(5S)-1-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 71252866
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67382281
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-[(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-1,2-thiazolidin-2-yl]-2,6-difluorophenyl]methanone
CID 71252187
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 71252581
[4-(5-amino-3-methyl-2-pyridinyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 68540113
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one
CID 71252506
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylimidazolidine-2,4-dione
CID 71252985

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one (CID 71252546) is 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one is Cc1cnc(N2CCN(C(=O)c3c(F)cc(N4C(=O)CCC4CO)cc3F)CC2)c(C)c1.
What is the InChIKey of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is SKVXNTIGCHJLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O3/c1-14-9-15(2)22(26-12-14)27-5-7-28(8-6-27)23(32)21-18(24)10-17(11-19(21)25)29-16(13-30)3-4-20(29)31/h9-12,16,30H,3-8,13H2,1-2H3.
What are the key properties of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one?
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 444.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3,5-difluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 71252546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).