3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine

C81H80F6N34O6S3 — CID 161328701

About 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine

3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 161328701) has the molecular formula C81H80F6N34O6S3 and a molecular weight of 1835.95 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine
• PubChem CID: 161328701
• Molecular Formula: C81H80F6N34O6S3
• Molecular Weight: 1835.95 g/mol
• Exact Mass: 1834.61
• IUPAC Name: 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine
• SMILES: CC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.Cc1c(C(F)(F)F)ccc(-c2ccnc3nc(N)[nH]c23)c1-c1nn[nH]n1.Cc1c(C(F)(F)F)ccc(-c2cncc3[nH]c(N)nc23)c1-c1nn[nH]n1.Cc1cc(N)ncc1Cc1cccc(S(C)(=O)=O)c1C1=NCN=N1.Cc1nc(N)ccc1Cc1cccc(S(C)(=O)=O)c1-c1nn[nH]n1
• InChI: InChI=1S/C20H25N7O2S.C16H17N5O2S.2C15H11F3N8.C15H16N6O2S/c1-12-2-4-13(5-3-12)10-14-6-8-16(15-7-9-17(21)23-11-15)18(19(14)30(22,28)29)20-24-26-27-25-20;1-10-6-14(17)18-8-12(10)7-11-4-3-5-13(24(2,22)23)15(11)16-19-9-20-21-16;1-6-9(15(16,17)18)3-2-7(11(6)13-23-25-26-24-13)8-4-20-5-10-12(8)22-14(19)21-10;1-6-9(15(16,17)18)3-2-7(10(6)12-23-25-26-24-12)8-4-5-20-13-11(8)21-14(19)22-13;1-9-10(6-7-13(16)17-9)8-11-4-3-5-12(24(2,22)23)14(11)15-18-20-21-19-15/h6-9,11-13H,2-5,10H2,1H3,(H2,21,23)(H2,22,28,29)(H,24,25,26,27);3-6,8H,7,9H2,1-2H3,(H2,17,18);2-5H,1H3,(H3,19,21,22)(H,23,24,25,26);2-5H,1H3,(H3,19,20,21,22)(H,23,24,25,26);3-7H,8H2,1-2H3,(H2,16,17)(H,18,19,20,21)
• InChIKey: VLCWOXMEKVWBBL-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 635.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1835.95
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine?

The IUPAC name of 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine (CID 161328701) is 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine.

What is the SMILES notation for 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine?

The canonical SMILES for 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine is CC1CCC(Cc2ccc(-c3ccc(N)nc3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1.Cc1c(C(F)(F)F)ccc(-c2ccnc3nc(N)[nH]c23)c1-c1nn[nH]n1.Cc1c(C(F)(F)F)ccc(-c2cncc3[nH]c(N)nc23)c1-c1nn[nH]n1.Cc1cc(N)ncc1Cc1cccc(S(C)(=O)=O)c1C1=NCN=N1.Cc1nc(N)ccc1Cc1cccc(S(C)(=O)=O)c1-c1nn[nH]n1.

What is the InChIKey of 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine?

The InChIKey is VLCWOXMEKVWBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2S.C16H17N5O2S.2C15H11F3N8.C15H16N6O2S/c1-12-2-4-13(5-3-12)10-14-6-8-16(15-7-9-17(21)23-11-15)18(19(14)30(22,28)29)20-24-26-27-25-20;1-10-6-14(17)18-8-12(10)7-11-4-3-5-13(24(2,22)23)15(11)16-19-9-20-21-16;1-6-9(15(16,17)18)3-2-7(11(6)13-23-25-26-24-13)8-4-20-5-10-12(8)22-14(19)21-10;1-6-9(15(16,17)18)3-2-7(10(6)12-23-25-26-24-12)8-4-5-20-13-11(8)21-14(19)22-13;1-9-10(6-7-13(16)17-9)8-11-4-3-5-12(24(2,22)23)14(11)15-18-20-21-19-15/h6-9,11-13H,2-5,10H2,1H3,(H2,21,23)(H2,22,28,29)(H,24,25,26,27);3-6,8H,7,9H2,1-2H3,(H2,17,18);2-5H,1H3,(H3,19,21,22)(H,23,24,25,26);2-5H,1H3,(H3,19,20,21,22)(H,23,24,25,26);3-7H,8H2,1-2H3,(H2,16,17)(H,18,19,20,21).

What are the key properties of 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine?

3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 1835.95 g/mol, XLogP of 11.24, 17 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-5-[[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]methyl]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 161328701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).