2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C27H32FN5O3 — CID 20960952

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c(OC)c1OC
InChIInChI=1S/C27H32FN5O3/c1-34-24-9-8-19(25(35-2)26(24)36-3)17-31-11-10-22-20(18-31)16-29-27(30-22)33-14-12-32(13-15-33)23-7-5-4-6-21(23)28/h4-9,16H,10-15,17-18H2,1-3H3
InChIKeyYQINTVRXTCWRGJ-UHFFFAOYSA-N
MW493.58 g/mol
LogP3.53
Rot. Bonds7

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960952) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960952
Molecular FormulaC27H32FN5O3
Molecular Weight493.58 g/mol
Exact Mass493.25
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c(OC)c1OC
InChIInChI=1S/C27H32FN5O3/c1-34-24-9-8-19(25(35-2)26(24)36-3)17-31-11-10-22-20(18-31)16-29-27(30-22)33-14-12-32(13-15-33)23-7-5-4-6-21(23)28/h4-9,16H,10-15,17-18H2,1-3H3
InChIKeyYQINTVRXTCWRGJ-UHFFFAOYSA-N
XLogP3.53
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(2,4-dimethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960934
6-[(2,3-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960962
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960950
6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960920
6-[(3-fluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960851
2-(4-ethylpiperazin-1-yl)-6-[(2-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960721
6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960959
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960913
6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride
CID 146071393
2-(4-methylpiperazin-1-yl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960687
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960863
2-(4-methylpiperazin-1-yl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;dihydrochloride
CID 146059840

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960952) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c(OC)c1OC.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YQINTVRXTCWRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3/c1-34-24-9-8-19(25(35-2)26(24)36-3)17-31-11-10-22-20(18-31)16-29-27(30-22)33-14-12-32(13-15-33)23-7-5-4-6-21(23)28/h4-9,16H,10-15,17-18H2,1-3H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 493.58 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).