N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide

C22H32N4O3S — CID 123530771

IUPACN-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
SMILESCC1C(COc2cc3nnc(NS(=O)(=O)C4CC4)n3cc2C2CC2)CCCC1(C)C
InChIInChI=1S/C22H32N4O3S/c1-14-16(5-4-10-22(14,2)3)13-29-19-11-20-23-24-21(25-30(27,28)17-8-9-17)26(20)12-18(19)15-6-7-15/h11-12,14-17H,4-10,13H2,1-3H3,(H,24,25)
InChIKeyBJOAAWSQBHLEEF-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.35
Rot. Bonds7

About N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide

N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide (PubChem CID 123530771) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
PubChem CID123530771
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC NameN-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
SMILESCC1C(COc2cc3nnc(NS(=O)(=O)C4CC4)n3cc2C2CC2)CCCC1(C)C
InChIInChI=1S/C22H32N4O3S/c1-14-16(5-4-10-22(14,2)3)13-29-19-11-20-23-24-21(25-30(27,28)17-8-9-17)26(20)12-18(19)15-6-7-15/h11-12,14-17H,4-10,13H2,1-3H3,(H,24,25)
InChIKeyBJOAAWSQBHLEEF-UHFFFAOYSA-N
XLogP4.35
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-cyclopropyl-7-[[(1S,2S,4R)-4-iodo-2,3,3-trimethylcyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanesulfonamide
CID 126486887
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
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-[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
6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 144721606
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
3-bromo-6-cyclopropyl-7-[(4-methylpiperidin-4-yl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 90456065
6-bromo-7-[[(1S,2S,4R)-4-iodo-2,3,3-trimethylcyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 118657742
5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
CID 86703750
N-[7-(1-adamantylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylazetidine-1-sulfonamide
CID 123916487
3-bromo-6-cyclopropyl-7-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-methylpiperidin-4-yl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 90455778

Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide (CID 123530771) is N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide is CC1C(COc2cc3nnc(NS(=O)(=O)C4CC4)n3cc2C2CC2)CCCC1(C)C.
What is the InChIKey of N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide?
The InChIKey is BJOAAWSQBHLEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-14-16(5-4-10-22(14,2)3)13-29-19-11-20-23-24-21(25-30(27,28)17-8-9-17)26(20)12-18(19)15-6-7-15/h11-12,14-17H,4-10,13H2,1-3H3,(H,24,25).
What are the key properties of N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide?
N-[6-cyclopropyl-7-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide has a molecular weight of 432.59 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-[(2,3,3-trimethylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 123530771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).