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

C23H26FN5O — CID 142595610

IUPAC7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1cc2ccccc2c(N2CCc3c(nc(C)nc3N3CCNCC3)C2)c1F
InChIInChI=1S/C23H26FN5O/c1-15-26-19-14-29(10-7-18(19)23(27-15)28-11-8-25-9-12-28)22-17-6-4-3-5-16(17)13-20(30-2)21(22)24/h3-6,13,25H,7-12,14H2,1-2H3
InChIKeyNGRTVCLMKCMHRY-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.06
Rot. Bonds3

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

7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 142595610) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID142595610
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1cc2ccccc2c(N2CCc3c(nc(C)nc3N3CCNCC3)C2)c1F
InChIInChI=1S/C23H26FN5O/c1-15-26-19-14-29(10-7-18(19)23(27-15)28-11-8-25-9-12-28)22-17-6-4-3-5-16(17)13-20(30-2)21(22)24/h3-6,13,25H,7-12,14H2,1-2H3
InChIKeyNGRTVCLMKCMHRY-UHFFFAOYSA-N
XLogP3.06
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 142595211
4-[2-[3-(dimethylamino)propoxy]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 163231026
acetonitrile;2-methoxy-7-(3-methoxy-2-methylphenyl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 142595210
4-[3-(2-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56885009
1-[4-[7-(3-hydroxynaphthalen-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;pyrrolidine
CID 145405064
1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine
CID 176811584
2-[2-[(3R)-3-fluoropiperidin-1-yl]ethoxy]-7-[3-(methoxymethoxy)naphthalen-1-yl]-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 155124677
1-[2-(methoxymethoxy)naphthalen-1-yl]piperazine
CID 65364701
acetonitrile;2-methoxy-7-(8-methylnaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 142595723
4-(8-fluoro-2-methoxy-4-piperazin-1-ylquinazolin-7-yl)naphthalen-2-ol
CID 170793455
4-[4-(6,6-difluoro-1,4-diazepan-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
CID 170451327
1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane
CID 145414301

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 142595610) is 7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is COc1cc2ccccc2c(N2CCc3c(nc(C)nc3N3CCNCC3)C2)c1F.
What is the InChIKey of 7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is NGRTVCLMKCMHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-15-26-19-14-29(10-7-18(19)23(27-15)28-11-8-25-9-12-28)22-17-6-4-3-5-16(17)13-20(30-2)21(22)24/h3-6,13,25H,7-12,14H2,1-2H3.
What are the key properties of 7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 407.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 142595610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).