N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine

C24H25ClFN7O2 — CID 146590535

IUPACN-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine
SMILESCOc1c(CCNc2ncnc3nc[nH]c23)cc(Cl)c(C)c1-c1ccnc(N2CCOCC2)c1F
InChIInChI=1S/C24H25ClFN7O2/c1-14-17(25)11-15(3-5-27-22-20-23(30-12-29-20)32-13-31-22)21(34-2)18(14)16-4-6-28-24(19(16)26)33-7-9-35-10-8-33/h4,6,11-13H,3,5,7-10H2,1-2H3,(H2,27,29,30,31,32)
InChIKeyVQSHZTSYBKVWMQ-UHFFFAOYSA-N
MW497.96 g/mol
LogP4.02
Rot. Bonds7

About N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine

N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine (PubChem CID 146590535) has the molecular formula C24H25ClFN7O2 and a molecular weight of 497.96 g/mol. Its IUPAC name is N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine
PubChem CID146590535
Molecular FormulaC24H25ClFN7O2
Molecular Weight497.96 g/mol
Exact Mass497.17
IUPAC NameN-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine
SMILESCOc1c(CCNc2ncnc3nc[nH]c23)cc(Cl)c(C)c1-c1ccnc(N2CCOCC2)c1F
InChIInChI=1S/C24H25ClFN7O2/c1-14-17(25)11-15(3-5-27-22-20-23(30-12-29-20)32-13-31-22)21(34-2)18(14)16-4-6-28-24(19(16)26)33-7-9-35-10-8-33/h4,6,11-13H,3,5,7-10H2,1-2H3,(H2,27,29,30,31,32)
InChIKeyVQSHZTSYBKVWMQ-UHFFFAOYSA-N
XLogP4.02
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine with MolForge

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Related Compounds

N-[(1S)-1-[5-chloro-2-methoxy-4-methyl-3-(5-methylsulfonyl-3-pyridinyl)phenyl]ethyl]-7H-purin-6-amine
CID 155518188
N-[(1S)-1-[5-chloro-2-methoxy-4-methyl-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-7H-purin-6-amine
CID 155539017
4-[[4-[7-(4-fluoro-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
CID 168281118
4-[5-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 89914487
2-(4-Cyclobutyl-2-fluoro-3-(pyrimidin-2-yloxy)phenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 90311038
4-[2-(5-Chloro-2-methoxy-4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]morpholine
CID 135335160
2-(5-Chloro-2-methoxy-4-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine;dihydrochloride
CID 154699415
US11091495, Example 33
CID 155787980
US11091495, Example 83
CID 155788069
US10259818, Example 24
CID 71765514
4-N-[1-[5-chloro-3-[5-(dimethylamino)-3-pyridinyl]-2-methoxy-4-methylphenyl]ethyl]-5-ethanimidoylpyrimidine-4,6-diamine
CID 134823412
US12252493, Example 22
CID 155382874

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine (CID 146590535) is N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine is COc1c(CCNc2ncnc3nc[nH]c23)cc(Cl)c(C)c1-c1ccnc(N2CCOCC2)c1F.
What is the InChIKey of N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine?
The InChIKey is VQSHZTSYBKVWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN7O2/c1-14-17(25)11-15(3-5-27-22-20-23(30-12-29-20)32-13-31-22)21(34-2)18(14)16-4-6-28-24(19(16)26)33-7-9-35-10-8-33/h4,6,11-13H,3,5,7-10H2,1-2H3,(H2,27,29,30,31,32).
What are the key properties of N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine?
N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine has a molecular weight of 497.96 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-chloro-3-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-2-methoxy-4-methylphenyl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 146590535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).