4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine

C19H19F2N5 — CID 163348402

IUPAC4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCC1CN(c2ncnc3ncccc23)CCN1Cc1ccc(F)cc1F
InChIInChI=1S/C19H19F2N5/c1-13-10-26(19-16-3-2-6-22-18(16)23-12-24-19)8-7-25(13)11-14-4-5-15(20)9-17(14)21/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyDJSFWBDEUSESQM-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.01
Rot. Bonds3

About 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine

4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 163348402) has the molecular formula C19H19F2N5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID163348402
Molecular FormulaC19H19F2N5
Molecular Weight355.39 g/mol
Exact Mass355.16
IUPAC Name4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCC1CN(c2ncnc3ncccc23)CCN1Cc1ccc(F)cc1F
InChIInChI=1S/C19H19F2N5/c1-13-10-26(19-16-3-2-6-22-18(16)23-12-24-19)8-7-25(13)11-14-4-5-15(20)9-17(14)21/h2-6,9,12-13H,7-8,10-11H2,1H3
InChIKeyDJSFWBDEUSESQM-UHFFFAOYSA-N
XLogP3.01
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine
CID 163356408
4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
CID 163348036
7-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163348358
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 163346447
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 165433619
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126893689
2-(2,4-difluorophenyl)-1-[(2R)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]ethanone
CID 58379056
1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 62228318
4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 154882855
2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95869695
2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
CID 171997643

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine (CID 163348402) is 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine is CC1CN(c2ncnc3ncccc23)CCN1Cc1ccc(F)cc1F.
What is the InChIKey of 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is DJSFWBDEUSESQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5/c1-13-10-26(19-16-3-2-6-22-18(16)23-12-24-19)8-7-25(13)11-14-4-5-15(20)9-17(14)21/h2-6,9,12-13H,7-8,10-11H2,1H3.
What are the key properties of 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine?
4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 355.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 163348402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).