6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine

C24H27FN4OS — CID 146439271

IUPAC6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine
SMILESCc1cc(SNc2cccc(F)n2)cnc1OC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C24H27FN4OS/c1-17-15-21(31-28-23-10-6-9-22(25)27-23)16-26-24(17)30-20-11-13-29(14-12-20)18(2)19-7-4-3-5-8-19/h3-10,15-16,18,20H,11-14H2,1-2H3,(H,27,28)
InChIKeyURYNZNCFKDFKQY-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.65
Rot. Bonds7

About 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine

6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine (PubChem CID 146439271) has the molecular formula C24H27FN4OS and a molecular weight of 438.57 g/mol. Its IUPAC name is 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine
PubChem CID146439271
Molecular FormulaC24H27FN4OS
Molecular Weight438.57 g/mol
Exact Mass438.19
IUPAC Name6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine
SMILESCc1cc(SNc2cccc(F)n2)cnc1OC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C24H27FN4OS/c1-17-15-21(31-28-23-10-6-9-22(25)27-23)16-26-24(17)30-20-11-13-29(14-12-20)18(2)19-7-4-3-5-8-19/h3-10,15-16,18,20H,11-14H2,1-2H3,(H,27,28)
InChIKeyURYNZNCFKDFKQY-UHFFFAOYSA-N
XLogP5.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine
CID 139028947
5-[(6-fluoro-2-pyridinyl)methylsulfonyl]-N,3-dimethyl-N-[1-[(1R)-1-phenylethyl]piperidin-4-yl]pyridin-2-amine
CID 159562252
N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
CID 146439293
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
CID 163351279
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
2-[3-bromo-2,6-difluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonyl-1,3-thiazole
CID 175097552
6-fluoro-N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]sulfanyl]pyridin-2-amine
CID 126668531
N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 55922553
N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
CID 113233091
1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine
CID 86773590

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine (CID 146439271) is 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine is Cc1cc(SNc2cccc(F)n2)cnc1OC1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine?
The InChIKey is URYNZNCFKDFKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4OS/c1-17-15-21(31-28-23-10-6-9-22(25)27-23)16-26-24(17)30-20-11-13-29(14-12-20)18(2)19-7-4-3-5-8-19/h3-10,15-16,18,20H,11-14H2,1-2H3,(H,27,28).
What are the key properties of 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine?
6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine has a molecular weight of 438.57 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine is sourced from PubChem (CID 146439271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).