N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

C102H135FN30O16S6 — CID 158463689

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(NC(C)C(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC3CCOc4ccccc43)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCC(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(F)cc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(OC)cc3)n2c1.O=S(=O)(c1ccc2nc(NCc3ccc4c(c3)OCO4)nn2c1)N1CCCCC1
InChIInChI=1S/C19H21N5O4S.C19H23N5O3S.C18H23N5O3S.C17H20FN5O2S.C15H25N5O2S.C14H23N5O2S/c25-29(26,23-8-2-1-3-9-23)15-5-7-18-21-19(22-24(18)12-15)20-11-14-4-6-16-17(10-14)28-13-27-16;1-3-23(4-2)28(25,26)14-9-10-18-21-22-19(24(18)13-14)20-16-11-12-27-17-8-6-5-7-15(16)17;1-4-22(5-2)27(24,25)16-10-11-17-20-21-18(23(17)13-16)19-12-14-6-8-15(26-3)9-7-14;1-3-22(4-2)26(24,25)15-9-10-16-20-21-17(23(16)12-15)19-11-13-5-7-14(18)8-6-13;1-6-19(7-2)23(21,22)13-8-9-14-17-18-15(20(14)10-13)16-12(5)11(3)4;1-5-18(6-2)22(20,21)12-7-8-13-16-17-14(19(13)10-12)15-9-11(3)4/h4-7,10,12H,1-3,8-9,11,13H2,(H,20,22);5-10,13,16H,3-4,11-12H2,1-2H3,(H,20,22);6-11,13H,4-5,12H2,1-3H3,(H,19,21);5-10,12H,3-4,11H2,1-2H3,(H,19,21);8-12H,6-7H2,1-5H3,(H,16,18);7-8,10-11H,5-6,9H2,1-4H3,(H,15,17)
InChIKeyHFMITIQMZFIALR-UHFFFAOYSA-N
MW2248.80 g/mol
LogP13.88
Rot. Bonds40

About N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 158463689) has the molecular formula C102H135FN30O16S6 and a molecular weight of 2248.80 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID158463689
Molecular FormulaC102H135FN30O16S6
Molecular Weight2248.80 g/mol
Exact Mass2246.90
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(NC(C)C(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC3CCOc4ccccc43)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCC(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(F)cc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(OC)cc3)n2c1.O=S(=O)(c1ccc2nc(NCc3ccc4c(c3)OCO4)nn2c1)N1CCCCC1
InChIInChI=1S/C19H21N5O4S.C19H23N5O3S.C18H23N5O3S.C17H20FN5O2S.C15H25N5O2S.C14H23N5O2S/c25-29(26,23-8-2-1-3-9-23)15-5-7-18-21-19(22-24(18)12-15)20-11-14-4-6-16-17(10-14)28-13-27-16;1-3-23(4-2)28(25,26)14-9-10-18-21-22-19(24(18)13-14)20-16-11-12-27-17-8-6-5-7-15(16)17;1-4-22(5-2)27(24,25)16-10-11-17-20-21-18(23(17)13-16)19-12-14-6-8-15(26-3)9-7-14;1-3-22(4-2)26(24,25)15-9-10-16-20-21-17(23(16)12-15)19-11-13-5-7-14(18)8-6-13;1-6-19(7-2)23(21,22)13-8-9-14-17-18-15(20(14)10-13)16-12(5)11(3)4;1-5-18(6-2)22(20,21)12-7-8-13-16-17-14(19(13)10-12)15-9-11(3)4/h4-7,10,12H,1-3,8-9,11,13H2,(H,20,22);5-10,13,16H,3-4,11-12H2,1-2H3,(H,20,22);6-11,13H,4-5,12H2,1-3H3,(H,19,21);5-10,12H,3-4,11H2,1-2H3,(H,19,21);8-12H,6-7H2,1-5H3,(H,16,18);7-8,10-11H,5-6,9H2,1-4H3,(H,15,17)
InChIKeyHFMITIQMZFIALR-UHFFFAOYSA-N
XLogP13.88
TPSA514.52 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds40
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002248.80
LogP ≤ 513.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Analyze N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 158463689) is N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nnc(NC(C)C(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NC3CCOc4ccccc43)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCC(C)C)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(F)cc3)n2c1.CCN(CC)S(=O)(=O)c1ccc2nnc(NCc3ccc(OC)cc3)n2c1.O=S(=O)(c1ccc2nc(NCc3ccc4c(c3)OCO4)nn2c1)N1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is HFMITIQMZFIALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S.C19H23N5O3S.C18H23N5O3S.C17H20FN5O2S.C15H25N5O2S.C14H23N5O2S/c25-29(26,23-8-2-1-3-9-23)15-5-7-18-21-19(22-24(18)12-15)20-11-14-4-6-16-17(10-14)28-13-27-16;1-3-23(4-2)28(25,26)14-9-10-18-21-22-19(24(18)13-14)20-16-11-12-27-17-8-6-5-7-15(16)17;1-4-22(5-2)27(24,25)16-10-11-17-20-21-18(23(17)13-16)19-12-14-6-8-15(26-3)9-7-14;1-3-22(4-2)26(24,25)15-9-10-16-20-21-17(23(16)12-15)19-11-13-5-7-14(18)8-6-13;1-6-19(7-2)23(21,22)13-8-9-14-17-18-15(20(14)10-13)16-12(5)11(3)4;1-5-18(6-2)22(20,21)12-7-8-13-16-17-14(19(13)10-12)15-9-11(3)4/h4-7,10,12H,1-3,8-9,11,13H2,(H,20,22);5-10,13,16H,3-4,11-12H2,1-2H3,(H,20,22);6-11,13H,4-5,12H2,1-3H3,(H,19,21);5-10,12H,3-4,11H2,1-2H3,(H,19,21);8-12H,6-7H2,1-5H3,(H,16,18);7-8,10-11H,5-6,9H2,1-4H3,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 2248.80 g/mol, XLogP of 13.88, 40 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N-diethyl-3-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(3-methylbutan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-(2-methylpropylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;3-(3,4-dihydro-2H-chromen-4-ylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 158463689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).