2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine

C24H24FN7O — CID 46214373

IUPAC2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine
SMILESCOc1ccc2[nH]cc(CCNc3nc(-c4cncc(F)c4)nc4c3ncn4C(C)C)c2c1
InChIInChI=1S/C24H24FN7O/c1-14(2)32-13-29-21-23(30-22(31-24(21)32)16-8-17(25)12-26-10-16)27-7-6-15-11-28-20-5-4-18(33-3)9-19(15)20/h4-5,8-14,28H,6-7H2,1-3H3,(H,27,30,31)
InChIKeyBBEPNUYCFSIHLM-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.75
Rot. Bonds7

About 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine

2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine (PubChem CID 46214373) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine
PubChem CID46214373
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine
SMILESCOc1ccc2[nH]cc(CCNc3nc(-c4cncc(F)c4)nc4c3ncn4C(C)C)c2c1
InChIInChI=1S/C24H24FN7O/c1-14(2)32-13-29-21-23(30-22(31-24(21)32)16-8-17(25)12-26-10-16)27-7-6-15-11-28-20-5-4-18(33-3)9-19(15)20/h4-5,8-14,28H,6-7H2,1-3H3,(H,27,30,31)
InChIKeyBBEPNUYCFSIHLM-UHFFFAOYSA-N
XLogP4.75
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine 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

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789
Rwj-68354
CID 9819053
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
(2R,3R,4S,5R)-2-(6-amino-2-(2-(5-methoxy-1H-indol-3-yl)ethoxy)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
CID 16203665

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine (CID 46214373) is 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine is COc1ccc2[nH]cc(CCNc3nc(-c4cncc(F)c4)nc4c3ncn4C(C)C)c2c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine?
The InChIKey is BBEPNUYCFSIHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-14(2)32-13-29-21-23(30-22(31-24(21)32)16-8-17(25)12-26-10-16)27-7-6-15-11-28-20-5-4-18(33-3)9-19(15)20/h4-5,8-14,28H,6-7H2,1-3H3,(H,27,30,31).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine?
2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine has a molecular weight of 445.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 46214373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).