4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine

C24H22FN5 — CID 170100510

IUPAC4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine
SMILESCc1nc(N2CC3CCC(C2)N3)c2cnc(-c3cccc4ccccc34)c(F)c2n1
InChIInChI=1S/C24H22FN5/c1-14-27-23-20(24(28-14)30-12-16-9-10-17(13-30)29-16)11-26-22(21(23)25)19-8-4-6-15-5-2-3-7-18(15)19/h2-8,11,16-17,29H,9-10,12-13H2,1H3
InChIKeyAMAGFPBNOOEVEF-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.23
Rot. Bonds2

About 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine

4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine (PubChem CID 170100510) has the molecular formula C24H22FN5 and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine
PubChem CID170100510
Molecular FormulaC24H22FN5
Molecular Weight399.47 g/mol
Exact Mass399.19
IUPAC Name4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine
SMILESCc1nc(N2CC3CCC(C2)N3)c2cnc(-c3cccc4ccccc34)c(F)c2n1
InChIInChI=1S/C24H22FN5/c1-14-27-23-20(24(28-14)30-12-16-9-10-17(13-30)29-16)11-26-22(21(23)25)19-8-4-6-15-5-2-3-7-18(15)19/h2-8,11,16-17,29H,9-10,12-13H2,1H3
InChIKeyAMAGFPBNOOEVEF-UHFFFAOYSA-N
XLogP4.23
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(azetidin-1-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;methanol
CID 156645490
4-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-(3,3,3-trifluoropropoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 164521427
2-[7-(8-chloronaphthalen-1-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxyethanol
CID 176937805
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-fluoronaphthalen-2-ol
CID 166535276
1-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-7-yl]isoquinolin-3-amine
CID 166535389
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 170387970
4-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[2-(5-fluoro-2-pyridinyl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 164521388
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidine;ethane
CID 176937826
4-[4-(8,10-diazabicyclo[4.3.1]decan-8-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;ethane;1-methylpyrrolidine
CID 156645526
4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(8-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
CID 164521268
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(2,2-dimethoxyethoxy)-8-fluoro-7-[3-(methoxymethoxy)-8-methylnaphthalen-1-yl]pyrido[4,3-d]pyrimidine
CID 168999556
2-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxy-N-methylethanamine
CID 176937679

Frequently Asked Questions

What is the IUPAC name of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine (CID 170100510) is 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine is Cc1nc(N2CC3CCC(C2)N3)c2cnc(-c3cccc4ccccc34)c(F)c2n1.
What is the InChIKey of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine?
The InChIKey is AMAGFPBNOOEVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5/c1-14-27-23-20(24(28-14)30-12-16-9-10-17(13-30)29-16)11-26-22(21(23)25)19-8-4-6-15-5-2-3-7-18(15)19/h2-8,11,16-17,29H,9-10,12-13H2,1H3.
What are the key properties of 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine?
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine has a molecular weight of 399.47 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methyl-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 170100510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).