3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine

C24H27Cl2N5O — CID 59216113

IUPAC3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine
SMILESCn1c(N2CCC(Oc3ncc(Cl)cc3Cl)CC2)nnc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H27Cl2N5O/c1-30-22(24(11-5-6-12-24)17-7-3-2-4-8-17)28-29-23(30)31-13-9-19(10-14-31)32-21-20(26)15-18(25)16-27-21/h2-4,7-8,15-16,19H,5-6,9-14H2,1H3
InChIKeyJFGPGSJTMRPFAE-UHFFFAOYSA-N
MW472.42 g/mol
LogP5.42
Rot. Bonds5

About 3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine

3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine (PubChem CID 59216113) has the molecular formula C24H27Cl2N5O and a molecular weight of 472.42 g/mol. Its IUPAC name is 3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine
PubChem CID59216113
Molecular FormulaC24H27Cl2N5O
Molecular Weight472.42 g/mol
Exact Mass471.16
IUPAC Name3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine
SMILESCn1c(N2CCC(Oc3ncc(Cl)cc3Cl)CC2)nnc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H27Cl2N5O/c1-30-22(24(11-5-6-12-24)17-7-3-2-4-8-17)28-29-23(30)31-13-9-19(10-14-31)32-21-20(26)15-18(25)16-27-21/h2-4,7-8,15-16,19H,5-6,9-14H2,1H3
InChIKeyJFGPGSJTMRPFAE-UHFFFAOYSA-N
XLogP5.42
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine?
The IUPAC name of 3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine (CID 59216113) is 3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine is Cn1c(N2CCC(Oc3ncc(Cl)cc3Cl)CC2)nnc1C1(c2ccccc2)CCCC1.
What is the InChIKey of 3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine?
The InChIKey is JFGPGSJTMRPFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O/c1-30-22(24(11-5-6-12-24)17-7-3-2-4-8-17)28-29-23(30)31-13-9-19(10-14-31)32-21-20(26)15-18(25)16-27-21/h2-4,7-8,15-16,19H,5-6,9-14H2,1H3.
What are the key properties of 3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine?
3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine has a molecular weight of 472.42 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 59216113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).