4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C27H27FN4O3 — CID 167596130

IUPAC4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCOCCOc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C27H27FN4O3/c1-34-8-9-35-27-30-25-22(26(31-27)32-14-16-6-7-17(10-16)15-32)13-29-24(23(25)28)21-12-19(33)11-18-4-2-3-5-20(18)21/h2-5,11-13,16-17,33H,6-10,14-15H2,1H3
InChIKeyNWVUEEQUTSSZML-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.95
Rot. Bonds6

About 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 167596130) has the molecular formula C27H27FN4O3 and a molecular weight of 474.54 g/mol. Its IUPAC name is 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
PubChem CID167596130
Molecular FormulaC27H27FN4O3
Molecular Weight474.54 g/mol
Exact Mass474.21
IUPAC Name4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCOCCOc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C27H27FN4O3/c1-34-8-9-35-27-30-25-22(26(31-27)32-14-16-6-7-17(10-16)15-32)13-29-24(23(25)28)21-12-19(33)11-18-4-2-3-5-20(18)21/h2-5,11-13,16-17,33H,6-10,14-15H2,1H3
InChIKeyNWVUEEQUTSSZML-UHFFFAOYSA-N
XLogP4.95
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-propoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167691036
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[(1-methylimidazol-4-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167586559
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167545123
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167586565
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 166139916
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[1-(1-methylpyrrolidin-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167633928
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
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-[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-[8-fluoro-2-methoxy-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 166157405
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 167120127
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-2-(2-azaspiro[3.5]nonan-2-yl)-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 167532942

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 167596130) is 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is COCCOc1nc(N2CC3CCC(C3)C2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.
What is the InChIKey of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The InChIKey is NWVUEEQUTSSZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3/c1-34-8-9-35-27-30-25-22(26(31-27)32-14-16-6-7-17(10-16)15-32)13-29-24(23(25)28)21-12-19(33)11-18-4-2-3-5-20(18)21/h2-5,11-13,16-17,33H,6-10,14-15H2,1H3.
What are the key properties of 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 474.54 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2-methoxyethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 167596130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).