N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide

C24H32N4O3S — CID 118657690

IUPACN-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide
SMILESO=S(=O)(Nc1nnc2cc(OCC3CC4C5CCC(C5)C4C3)c(C3CC3)cn12)C1CCC1
InChIInChI=1S/C24H32N4O3S/c29-32(30,18-2-1-3-18)27-24-26-25-23-11-22(21(12-28(23)24)15-4-5-15)31-13-14-8-19-16-6-7-17(10-16)20(19)9-14/h11-12,14-20H,1-10,13H2,(H,26,27)
InChIKeyLFVXEDZBABIAOO-UHFFFAOYSA-N
MW456.61 g/mol
LogP4.35
Rot. Bonds7

About N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide

N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide (PubChem CID 118657690) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide
PubChem CID118657690
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide
SMILESO=S(=O)(Nc1nnc2cc(OCC3CC4C5CCC(C5)C4C3)c(C3CC3)cn12)C1CCC1
InChIInChI=1S/C24H32N4O3S/c29-32(30,18-2-1-3-18)27-24-26-25-23-11-22(21(12-28(23)24)15-4-5-15)31-13-14-8-19-16-6-7-17(10-16)20(19)9-14/h11-12,14-20H,1-10,13H2,(H,26,27)
InChIKeyLFVXEDZBABIAOO-UHFFFAOYSA-N
XLogP4.35
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide with MolForge

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Related Compounds

N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
CID 123530771
N-[6-cyclopropyl-7-[(3-methyl-6-bicyclo[3.2.1]oct-1(7)-enyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
CID 126486744
N-[7-[2-(2-adamantyl)ethoxy]-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
CID 90461627
N-[6-cyclopropyl-7-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
CID 118644980
N-[6-cyclopropyl-7-[(1-methyl-2-adamantyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
CID 123465035
N-[7-(1-adamantylmethoxy)-6-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide;N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,1-difluoromethanesulfonamide;N-[7-(1-adamantylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide;N-[6-cyclopropyl-7-[(3,4-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide;N-[6-cyclopropyl-7-[(3,4-dichlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide;N-[6-cyclopropyl-7-[[1-(trifluoromethyl)cyclopentyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
CID 158917480
5-cyclopropyl-N-cyclopropylsulfonyl-4-[(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)methoxy]-2-fluorobenzamide
CID 86703744
6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 158462172
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide
CID 118120413
N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide
CID 123916487
5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
CID 86703750
3-bromo-6-cyclopropyl-7-[(4-methylpiperidin-4-yl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 90456065

Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide?
The IUPAC name of N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide (CID 118657690) is N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide.
What is the SMILES notation for N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide?
The canonical SMILES for N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide is O=S(=O)(Nc1nnc2cc(OCC3CC4C5CCC(C5)C4C3)c(C3CC3)cn12)C1CCC1.
What is the InChIKey of N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide?
The InChIKey is LFVXEDZBABIAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c29-32(30,18-2-1-3-18)27-24-26-25-23-11-22(21(12-28(23)24)15-4-5-15)31-13-14-8-19-16-6-7-17(10-16)20(19)9-14/h11-12,14-20H,1-10,13H2,(H,26,27).
What are the key properties of N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide?
N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide has a molecular weight of 456.61 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyl-7-(4-tricyclo[5.2.1.02,6]decanylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide is sourced from PubChem (CID 118657690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).