6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine

C24H24ClFN6O2 — CID 59152200

IUPAC6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESCc1nnc(C2(Cc3cccc(Nc4ccn[nH]4)n3)CCC(Oc3cccc(Cl)c3F)CC2)o1
InChIInChI=1S/C24H24ClFN6O2/c1-15-30-32-23(33-15)24(14-16-4-2-7-20(28-16)29-21-10-13-27-31-21)11-8-17(9-12-24)34-19-6-3-5-18(25)22(19)26/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H2,27,28,29,31)
InChIKeyIDKYOQDTCCUVIN-UHFFFAOYSA-N
MW482.95 g/mol
LogP5.53
Rot. Bonds7

About 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine

6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine (PubChem CID 59152200) has the molecular formula C24H24ClFN6O2 and a molecular weight of 482.95 g/mol. Its IUPAC name is 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
PubChem CID59152200
Molecular FormulaC24H24ClFN6O2
Molecular Weight482.95 g/mol
Exact Mass482.16
IUPAC Name6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
SMILESCc1nnc(C2(Cc3cccc(Nc4ccn[nH]4)n3)CCC(Oc3cccc(Cl)c3F)CC2)o1
InChIInChI=1S/C24H24ClFN6O2/c1-15-30-32-23(33-15)24(14-16-4-2-7-20(28-16)29-21-10-13-27-31-21)11-8-17(9-12-24)34-19-6-3-5-18(25)22(19)26/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H2,27,28,29,31)
InChIKeyIDKYOQDTCCUVIN-UHFFFAOYSA-N
XLogP5.53
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.95
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The IUPAC name of 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine (CID 59152200) is 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The canonical SMILES for 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine is Cc1nnc(C2(Cc3cccc(Nc4ccn[nH]4)n3)CCC(Oc3cccc(Cl)c3F)CC2)o1.
What is the InChIKey of 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine?
The InChIKey is IDKYOQDTCCUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O2/c1-15-30-32-23(33-15)24(14-16-4-2-7-20(28-16)29-21-10-13-27-31-21)11-8-17(9-12-24)34-19-6-3-5-18(25)22(19)26/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H2,27,28,29,31).
What are the key properties of 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine?
6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine has a molecular weight of 482.95 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3-chloro-2-fluorophenoxy)-1-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-N-(1H-pyrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 59152200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).