2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one

C26H28FN3O3 — CID 26361270

IUPAC2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one
SMILESCc1ccc(Cn2c(C)cc(=O)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C2CC2)o1
InChIInChI=1S/C26H28FN3O3/c1-17-15-23(31)24(25(19-4-5-19)30(17)16-22-10-3-18(2)33-22)26(32)29-13-11-28(12-14-29)21-8-6-20(27)7-9-21/h3,6-10,15,19H,4-5,11-14,16H2,1-2H3
InChIKeyAHDLORHVYZLFGZ-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.09
Rot. Bonds5

About 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one

2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one (PubChem CID 26361270) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one
PubChem CID26361270
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one
SMILESCc1ccc(Cn2c(C)cc(=O)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C2CC2)o1
InChIInChI=1S/C26H28FN3O3/c1-17-15-23(31)24(25(19-4-5-19)30(17)16-22-10-3-18(2)33-22)26(32)29-13-11-28(12-14-29)21-8-6-20(27)7-9-21/h3,6-10,15,19H,4-5,11-14,16H2,1-2H3
InChIKeyAHDLORHVYZLFGZ-UHFFFAOYSA-N
XLogP4.09
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one with MolForge

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Related Compounds

2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 118759087
2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one
CID 42432358
2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one
CID 45237079
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one
CID 950132
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
CID 45167770
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 86879952
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55334172

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one?
The IUPAC name of 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one (CID 26361270) is 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one.
What is the SMILES notation for 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one?
The canonical SMILES for 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one is Cc1ccc(Cn2c(C)cc(=O)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one?
The InChIKey is AHDLORHVYZLFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-17-15-23(31)24(25(19-4-5-19)30(17)16-22-10-3-18(2)33-22)26(32)29-13-11-28(12-14-29)21-8-6-20(27)7-9-21/h3,6-10,15,19H,4-5,11-14,16H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one?
2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one has a molecular weight of 449.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one is sourced from PubChem (CID 26361270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).