3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine

C25H34N6OS — CID 170638665

IUPAC3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine
SMILESCSNC1CCN(c2ccccn2)CC1COC1CCC(c2cc3cnn(C)c3cn2)CC1
InChIInChI=1S/C25H34N6OS/c1-30-24-15-27-23(13-19(24)14-28-30)18-6-8-21(9-7-18)32-17-20-16-31(12-10-22(20)29-33-2)25-5-3-4-11-26-25/h3-5,11,13-15,18,20-22,29H,6-10,12,16-17H2,1-2H3
InChIKeySSAZFINFKPMDSV-UHFFFAOYSA-N
MW466.66 g/mol
LogP4.17
Rot. Bonds7

About 3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine

3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 170638665) has the molecular formula C25H34N6OS and a molecular weight of 466.66 g/mol. Its IUPAC name is 3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine
PubChem CID170638665
Molecular FormulaC25H34N6OS
Molecular Weight466.66 g/mol
Exact Mass466.25
IUPAC Name3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine
SMILESCSNC1CCN(c2ccccn2)CC1COC1CCC(c2cc3cnn(C)c3cn2)CC1
InChIInChI=1S/C25H34N6OS/c1-30-24-15-27-23(13-19(24)14-28-30)18-6-8-21(9-7-18)32-17-20-16-31(12-10-22(20)29-33-2)25-5-3-4-11-26-25/h3-5,11,13-15,18,20-22,29H,6-10,12,16-17H2,1-2H3
InChIKeySSAZFINFKPMDSV-UHFFFAOYSA-N
XLogP4.17
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.66
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-[3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]-4-(methylsulfanylamino)piperidin-1-yl]propan-1-one
CID 170638497
N-[3-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 167125804
3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanylpiperidin-4-amine
CID 170638488
N-[(4S)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 164799406
ethane;3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanylpiperidin-4-amine
CID 170638624
N-[(3R,4S)-1-pyridin-2-yl-3-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-4-yl]methanesulfonamide
CID 167125764
3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-N-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)sulfanyl]-1-pyridazin-3-ylpiperidin-4-amine
CID 170638331
1,1,1-trifluoro-N-[(3R,4S)-3-[[4-(7-fluoro-1-methylindazol-5-yl)cyclohexyl]oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide
CID 170638630
N-[(3R)-1-(4-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide
CID 167125912
N-[(3R,4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyrimidin-2-ylpiperidin-4-yl]methanesulfonamide
CID 167125884
N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide
CID 167125922
N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide
CID 170638509

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of 3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine (CID 170638665) is 3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for 3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for 3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine is CSNC1CCN(c2ccccn2)CC1COC1CCC(c2cc3cnn(C)c3cn2)CC1.
What is the InChIKey of 3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is SSAZFINFKPMDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6OS/c1-30-24-15-27-23(13-19(24)14-28-30)18-6-8-21(9-7-18)32-17-20-16-31(12-10-22(20)29-33-2)25-5-3-4-11-26-25/h3-5,11,13-15,18,20-22,29H,6-10,12,16-17H2,1-2H3.
What are the key properties of 3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine?
3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 466.66 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanyl-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 170638665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).