6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C22H25F3N4O3S — CID 163786473

About 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 163786473) has the molecular formula C22H25F3N4O3S and a molecular weight of 482.53 g/mol. Its IUPAC name is 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
• PubChem CID: 163786473
• Molecular Formula: C22H25F3N4O3S
• Molecular Weight: 482.53 g/mol
• Exact Mass: 482.16
• IUPAC Name: 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
• SMILES: C[C@@H]1[C@H](C)N(c2ccc(C(F)(F)F)cn2)CCN1S(=O)(=O)c1ccc2c(c1)C(C(N)=O)CC2
• InChI: InChI=1S/C22H25F3N4O3S/c1-13-14(2)29(10-9-28(13)20-8-5-16(12-27-20)22(23,24)25)33(31,32)17-6-3-15-4-7-18(21(26)30)19(15)11-17/h3,5-6,8,11-14,18H,4,7,9-10H2,1-2H3,(H2,26,30)/t13-,14+,18?/m0/s1
• InChIKey: MSZVCWMGMWGWRR-BWLUYJDISA-N
• XLogP: 2.90
• TPSA: 96.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.53
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?

The IUPAC name of 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 163786473) is 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

What is the SMILES notation for 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?

The canonical SMILES for 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is C[C@@H]1[C@H](C)N(c2ccc(C(F)(F)F)cn2)CCN1S(=O)(=O)c1ccc2c(c1)C(C(N)=O)CC2.

What is the InChIKey of 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?

The InChIKey is MSZVCWMGMWGWRR-BWLUYJDISA-N. The full InChI is InChI=1S/C22H25F3N4O3S/c1-13-14(2)29(10-9-28(13)20-8-5-16(12-27-20)22(23,24)25)33(31,32)17-6-3-15-4-7-18(21(26)30)19(15)11-17/h3,5-6,8,11-14,18H,4,7,9-10H2,1-2H3,(H2,26,30)/t13-,14+,18?/m0/s1.

What are the key properties of 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?

6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,3S)-2,3-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 163786473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).