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

C23H27FN6 — CID 20960950

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1cccc1CN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1
InChIInChI=1S/C23H27FN6/c1-27-9-4-5-19(27)17-28-10-8-21-18(16-28)15-25-23(26-21)30-13-11-29(12-14-30)22-7-3-2-6-20(22)24/h2-7,9,15H,8,10-14,16-17H2,1H3
InChIKeyZQCCHPFKEOIIKQ-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.84
Rot. Bonds4

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960950) has the molecular formula C23H27FN6 and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960950
Molecular FormulaC23H27FN6
Molecular Weight406.51 g/mol
Exact Mass406.23
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1cccc1CN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1
InChIInChI=1S/C23H27FN6/c1-27-9-4-5-19(27)17-28-10-8-21-18(16-28)15-25-23(26-21)30-13-11-29(12-14-30)22-7-3-2-6-20(22)24/h2-7,9,15H,8,10-14,16-17H2,1H3
InChIKeyZQCCHPFKEOIIKQ-UHFFFAOYSA-N
XLogP2.84
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(2,3,4-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960952
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-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960934
6-[(3-fluorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960851
4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 83285555
6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960813
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenyl-5,6,7,8-tetrahydroquinazoline
CID 177491942
6-[(3,5-difluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960889
6-[(2-methylphenyl)methyl]-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960820
6-[(2-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960723
6-[(2-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960920

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960950) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cn1cccc1CN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZQCCHPFKEOIIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6/c1-27-9-4-5-19(27)17-28-10-8-21-18(16-28)15-25-23(26-21)30-13-11-29(12-14-30)22-7-3-2-6-20(22)24/h2-7,9,15H,8,10-14,16-17H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 406.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[(1-methylpyrrol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).