2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone

C22H22FN5O — CID 178096351

IUPAC2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2ncc3cccnc3n2)CC1
InChIInChI=1S/C22H22FN5O/c23-19-12-15(3-6-18(19)16-4-5-16)13-20(29)27-8-10-28(11-9-27)22-25-14-17-2-1-7-24-21(17)26-22/h1-3,6-7,12,14,16H,4-5,8-11,13H2
InChIKeyPYQUWWONUWPESE-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 178096351) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID178096351
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2ncc3cccnc3n2)CC1
InChIInChI=1S/C22H22FN5O/c23-19-12-15(3-6-18(19)16-4-5-16)13-20(29)27-8-10-28(11-9-27)22-25-14-17-2-1-7-24-21(17)26-22/h1-3,6-7,12,14,16H,4-5,8-11,13H2
InChIKeyPYQUWWONUWPESE-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone 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

2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide
CID 178096379
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 175905284
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one
CID 178096352
2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161643
2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one
CID 178096362
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
CID 155942155
2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 136513871
2-(3-fluorophenyl)-1-(4-isoquinolin-1-ylpiperazin-1-yl)ethanone
CID 110711471
2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 84577578
2-(4-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 46270777
2-(3-methylphenyl)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344113

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 178096351) is 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2ncc3cccnc3n2)CC1.
What is the InChIKey of 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is PYQUWWONUWPESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-19-12-15(3-6-18(19)16-4-5-16)13-20(29)27-8-10-28(11-9-27)22-25-14-17-2-1-7-24-21(17)26-22/h1-3,6-7,12,14,16H,4-5,8-11,13H2.
What are the key properties of 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 391.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 178096351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).