4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine

C20H22FN5O — CID 165433619

IUPAC4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCOc1ccc(CN2CCN(c3ncnc4cnccc34)CC2C)cc1F
InChIInChI=1S/C20H22FN5O/c1-14-11-26(20-16-5-6-22-10-18(16)23-13-24-20)8-7-25(14)12-15-3-4-19(27-2)17(21)9-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3
InChIKeyCQAYGYTWZZTKQK-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.88
Rot. Bonds4

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

4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 165433619) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID165433619
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCOc1ccc(CN2CCN(c3ncnc4cnccc34)CC2C)cc1F
InChIInChI=1S/C20H22FN5O/c1-14-11-26(20-16-5-6-22-10-18(16)23-13-24-20)8-7-25(14)12-15-3-4-19(27-2)17(21)9-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3
InChIKeyCQAYGYTWZZTKQK-UHFFFAOYSA-N
XLogP2.88
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

4-ethyl-5-fluoro-6-[4-[(6-methoxy-3-pyridinyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
CID 163350251
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163356836
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163350527
4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 163348402
4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidine
CID 126931937
4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163348985
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785527
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126945134
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine
CID 163356408

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine (CID 165433619) is 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine is COc1ccc(CN2CCN(c3ncnc4cnccc34)CC2C)cc1F.
What is the InChIKey of 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is CQAYGYTWZZTKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-11-26(20-16-5-6-22-10-18(16)23-13-24-20)8-7-25(14)12-15-3-4-19(27-2)17(21)9-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3.
What are the key properties of 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine?
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 367.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 165433619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).