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

C21H22ClN5 — CID 171055653

IUPAC7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESClc1cccc2cccc(N3CCc4c(ncnc4N4CCNCC4)C3)c12
InChIInChI=1S/C21H22ClN5/c22-17-5-1-3-15-4-2-6-19(20(15)17)27-10-7-16-18(13-27)24-14-25-21(16)26-11-8-23-9-12-26/h1-6,14,23H,7-13H2
InChIKeyRQHRAXIJPISFEV-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.26
Rot. Bonds2

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

7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 171055653) has the molecular formula C21H22ClN5 and a molecular weight of 379.89 g/mol. Its IUPAC name is 7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID171055653
Molecular FormulaC21H22ClN5
Molecular Weight379.89 g/mol
Exact Mass379.16
IUPAC Name7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESClc1cccc2cccc(N3CCc4c(ncnc4N4CCNCC4)C3)c12
InChIInChI=1S/C21H22ClN5/c22-17-5-1-3-15-4-2-6-19(20(15)17)27-10-7-16-18(13-27)24-14-25-21(16)26-11-8-23-9-12-26/h1-6,14,23H,7-13H2
InChIKeyRQHRAXIJPISFEV-UHFFFAOYSA-N
XLogP3.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

(1S,4S)-5-[3-[[7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]propyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 147730753
tert-butyl N-[1-[7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]azetidin-3-yl]carbamate
CID 167080333
7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 178000351
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
6-(8-chloronaphthalen-1-yl)-3-[[(2S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-1-piperazin-1-yl-7,8-dihydro-5H-2,6-naphthyridine-4-carbonitrile
CID 168918522
7-(8-chloronaphthalen-1-yl)-2,4-dimethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 170416265
7-(8-chloronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 154627677
7-(8-chloronaphthalen-1-yl)-4-[[(2R)-2-(difluoromethyl)piperazin-2-yl]-[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 175579590
tert-butyl 4-[7-(8-chloronaphthalen-1-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 142595552
2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile
CID 156885522
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
7-(8-chloronaphthalen-1-yl)-4-methoxy-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 167225322

Frequently Asked Questions

What is the IUPAC name of 7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 171055653) is 7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Clc1cccc2cccc(N3CCc4c(ncnc4N4CCNCC4)C3)c12.
What is the InChIKey of 7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is RQHRAXIJPISFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c22-17-5-1-3-15-4-2-6-19(20(15)17)27-10-7-16-18(13-27)24-14-25-21(16)26-11-8-23-9-12-26/h1-6,14,23H,7-13H2.
What are the key properties of 7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 379.89 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-chloronaphthalen-1-yl)-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 171055653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).