2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine

C26H30FN7O2 — CID 138701070

IUPAC2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine
SMILESCCOc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3cnc(C4CCN(C)CC4)cc3OC)c2n1
InChIInChI=1S/C26H30FN7O2/c1-5-36-26-30-16(2)23-25(32-26)34(24(31-23)18-10-20(27)14-28-12-18)15-19-13-29-21(11-22(19)35-4)17-6-8-33(3)9-7-17/h10-14,17H,5-9,15H2,1-4H3
InChIKeyQGSUKZXPOMCMNL-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.00
Rot. Bonds7

About 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine

2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine (PubChem CID 138701070) has the molecular formula C26H30FN7O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine.

Molecular Properties

Compound Name2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine
PubChem CID138701070
Molecular FormulaC26H30FN7O2
Molecular Weight491.57 g/mol
Exact Mass491.24
IUPAC Name2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine
SMILESCCOc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3cnc(C4CCN(C)CC4)cc3OC)c2n1
InChIInChI=1S/C26H30FN7O2/c1-5-36-26-30-16(2)23-25(32-26)34(24(31-23)18-10-20(27)14-28-12-18)15-19-13-29-21(11-22(19)35-4)17-6-8-33(3)9-7-17/h10-14,17H,5-9,15H2,1-4H3
InChIKeyQGSUKZXPOMCMNL-UHFFFAOYSA-N
XLogP4.00
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine with MolForge

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Related Compounds

2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
CID 11697270
1-[2-(4-fluorophenyl)-3-(2-phenylmethoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 44419899
8-(2-Aminopyrimidin-4-yl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-amine
CID 9922607
2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-phenyl-1H-imidazo[4,5-b]pyridine
CID 10149857
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 10171540
7-(4-Benzylpiperazin-1-yl)-12-methoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10667071
7-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-12-methoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10715484
1-(4-(3-(4-benzylpiperidin-1-yl)propoxy)phenyl)-5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11540902
2-[2-Fluoro-4-(3-piperidin-1-yl-propoxy)-phenyl]-7-methyl-imidazo[1,2-a]pyridine
CID 22015641

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine?
The IUPAC name of 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine (CID 138701070) is 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine.
What is the SMILES notation for 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine?
The canonical SMILES for 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine is CCOc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3cnc(C4CCN(C)CC4)cc3OC)c2n1.
What is the InChIKey of 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine?
The InChIKey is QGSUKZXPOMCMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O2/c1-5-36-26-30-16(2)23-25(32-26)34(24(31-23)18-10-20(27)14-28-12-18)15-19-13-29-21(11-22(19)35-4)17-6-8-33(3)9-7-17/h10-14,17H,5-9,15H2,1-4H3.
What are the key properties of 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine?
2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine has a molecular weight of 491.57 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-8-(5-fluoro-3-pyridinyl)-9-[[4-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-6-methylpurine is sourced from PubChem (CID 138701070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).