5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine

C26H33ClFN7O — CID 24850058

IUPAC5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCC[C@H]1CN(c2cc(F)c(-c3nnc(N)o3)nc2C)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H33ClFN7O/c1-3-20-16-34(23-14-22(28)24(30-17(23)2)25-31-32-26(29)36-25)12-13-35(20)21-8-10-33(11-9-21)15-18-4-6-19(27)7-5-18/h4-7,14,20-21H,3,8-13,15-16H2,1-2H3,(H2,29,32)/t20-/m0/s1
InChIKeyOGSXXWILAKDUTN-FQEVSTJZSA-N
MW514.05 g/mol
LogP4.38
Rot. Bonds6

About 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine

5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 24850058) has the molecular formula C26H33ClFN7O and a molecular weight of 514.05 g/mol. Its IUPAC name is 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID24850058
Molecular FormulaC26H33ClFN7O
Molecular Weight514.05 g/mol
Exact Mass513.24
IUPAC Name5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCC[C@H]1CN(c2cc(F)c(-c3nnc(N)o3)nc2C)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H33ClFN7O/c1-3-20-16-34(23-14-22(28)24(30-17(23)2)25-31-32-26(29)36-25)12-13-35(20)21-8-10-33(11-9-21)15-18-4-6-19(27)7-5-18/h4-7,14,20-21H,3,8-13,15-16H2,1-2H3,(H2,29,32)/t20-/m0/s1
InChIKeyOGSXXWILAKDUTN-FQEVSTJZSA-N
XLogP4.38
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.05
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 24850058) is 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine is CC[C@H]1CN(c2cc(F)c(-c3nnc(N)o3)nc2C)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OGSXXWILAKDUTN-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H33ClFN7O/c1-3-20-16-34(23-14-22(28)24(30-17(23)2)25-31-32-26(29)36-25)12-13-35(20)21-8-10-33(11-9-21)15-18-4-6-19(27)7-5-18/h4-7,14,20-21H,3,8-13,15-16H2,1-2H3,(H2,29,32)/t20-/m0/s1.
What are the key properties of 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 514.05 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 24850058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).