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

C24H29Cl2N5O3S — CID 118644980

About 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

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 (PubChem CID 118644980) has the molecular formula C24H29Cl2N5O3S and a molecular weight of 538.50 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 118644980
• Molecular Formula: C24H29Cl2N5O3S
• Molecular Weight: 538.50 g/mol
• Exact Mass: 537.14
• IUPAC Name: 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
• SMILES: C[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc3nnc(NS(C)(=O)=O)n3cc2C2CC2)CC1
• InChI: InChI=1S/C24H29Cl2N5O3S/c1-15(18-9-19(25)11-20(26)10-18)30-7-5-16(6-8-30)14-34-22-12-23-27-28-24(29-35(2,32)33)31(23)13-21(22)17-3-4-17/h9-13,15-17H,3-8,14H2,1-2H3,(H,28,29)/t15-/m1/s1
• InChIKey: AFWZQUHTTWSJGT-OAHLLOKOSA-N
• XLogP: 5.14
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.50
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc3nnc(NS(C)(=O)=O)n3cc2C2CC2)CC1.

What is the InChIKey of 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?

The InChIKey is AFWZQUHTTWSJGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H29Cl2N5O3S/c1-15(18-9-19(25)11-20(26)10-18)30-7-5-16(6-8-30)14-34-22-12-23-27-28-24(29-35(2,32)33)31(23)13-21(22)17-3-4-17/h9-13,15-17H,3-8,14H2,1-2H3,(H,28,29)/t15-/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 538.50 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 118644980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).