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

C24H32N4O3S — CID 86267492

IUPACN-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide
SMILESO=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(C3CC3)cn12)C1CCC1
InChIInChI=1S/C24H32N4O3S/c29-32(30,19-2-1-3-19)27-23-26-25-22-9-21(20(13-28(22)23)18-4-5-18)31-14-24-10-15-6-16(11-24)8-17(7-15)12-24/h9,13,15-19H,1-8,10-12,14H2,(H,26,27)
InChIKeySVPCWDMKWCXQFX-UHFFFAOYSA-N
MW456.61 g/mol
LogP4.50
Rot. Bonds7

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

N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide (PubChem CID 86267492) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide
PubChem CID86267492
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide
SMILESO=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(C3CC3)cn12)C1CCC1
InChIInChI=1S/C24H32N4O3S/c29-32(30,19-2-1-3-19)27-23-26-25-22-9-21(20(13-28(22)23)18-4-5-18)31-14-24-10-15-6-16(11-24)8-17(7-15)12-24/h9,13,15-19H,1-8,10-12,14H2,(H,26,27)
InChIKeySVPCWDMKWCXQFX-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide?
The IUPAC name of N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide (CID 86267492) is N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide.
What is the SMILES notation for N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide?
The canonical SMILES for N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide is O=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(C3CC3)cn12)C1CCC1.
What is the InChIKey of N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide?
The InChIKey is SVPCWDMKWCXQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c29-32(30,19-2-1-3-19)27-23-26-25-22-9-21(20(13-28(22)23)18-4-5-18)31-14-24-10-15-6-16(11-24)8-17(7-15)12-24/h9,13,15-19H,1-8,10-12,14H2,(H,26,27).
What are the key properties of N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide?
N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide has a molecular weight of 456.61 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclobutanesulfonamide is sourced from PubChem (CID 86267492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).