7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile

C25H30N8O2S — CID 161317060

About 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile

7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 161317060) has the molecular formula C25H30N8O2S and a molecular weight of 506.64 g/mol. Its IUPAC name is 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

• Compound Name: 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile
• PubChem CID: 161317060
• Molecular Formula: C25H30N8O2S
• Molecular Weight: 506.64 g/mol
• Exact Mass: 506.22
• IUPAC Name: 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile
• SMILES: Cc1cc(-c2cc(C#N)c3c(c2Nc2n[nH]c(S(=O)(=O)N4CCC(N(C)C)CC4)n2)CCC3)ccn1
• InChI: InChI=1S/C25H30N8O2S/c1-16-13-17(7-10-27-16)22-14-18(15-26)20-5-4-6-21(20)23(22)28-24-29-25(31-30-24)36(34,35)33-11-8-19(9-12-33)32(2)3/h7,10,13-14,19H,4-6,8-9,11-12H2,1-3H3,(H2,28,29,30,31)
• InChIKey: IGZQXVOCCXRQPA-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 130.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.64
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile?

The IUPAC name of 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile (CID 161317060) is 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile.

What is the SMILES notation for 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile?

The canonical SMILES for 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile is Cc1cc(-c2cc(C#N)c3c(c2Nc2n[nH]c(S(=O)(=O)N4CCC(N(C)C)CC4)n2)CCC3)ccn1.

What is the InChIKey of 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile?

The InChIKey is IGZQXVOCCXRQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2S/c1-16-13-17(7-10-27-16)22-14-18(15-26)20-5-4-6-21(20)23(22)28-24-29-25(31-30-24)36(34,35)33-11-8-19(9-12-33)32(2)3/h7,10,13-14,19H,4-6,8-9,11-12H2,1-3H3,(H2,28,29,30,31).

What are the key properties of 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile?

7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 506.64 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-yl]amino]-6-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 161317060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).