1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide

C26H33F3N4O — CID 175988364

About 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide

1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 175988364) has the molecular formula C26H33F3N4O and a molecular weight of 474.57 g/mol. Its IUPAC name is 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide
• PubChem CID: 175988364
• Molecular Formula: C26H33F3N4O
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.26
• IUPAC Name: 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide
• SMILES: CN(C(=O)C1(N(C)C)CCC1)[C@@H](c1ccc(NC2Cc3ccccc3C2(C)C)nc1)C(F)(F)F
• InChI: InChI=1S/C26H33F3N4O/c1-24(2)19-10-7-6-9-17(19)15-20(24)31-21-12-11-18(16-30-21)22(26(27,28)29)33(5)23(34)25(32(3)4)13-8-14-25/h6-7,9-12,16,20,22H,8,13-15H2,1-5H3,(H,30,31)/t20?,22-/m0/s1
• InChIKey: FPUAPYHVRRTUGD-IAXKEJLGSA-N
• XLogP: 4.94
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide?

The IUPAC name of 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide (CID 175988364) is 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide.

What is the SMILES notation for 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide?

The canonical SMILES for 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1(N(C)C)CCC1)[C@@H](c1ccc(NC2Cc3ccccc3C2(C)C)nc1)C(F)(F)F.

What is the InChIKey of 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide?

The InChIKey is FPUAPYHVRRTUGD-IAXKEJLGSA-N. The full InChI is InChI=1S/C26H33F3N4O/c1-24(2)19-10-7-6-9-17(19)15-20(24)31-21-12-11-18(16-30-21)22(26(27,28)29)33(5)23(34)25(32(3)4)13-8-14-25/h6-7,9-12,16,20,22H,8,13-15H2,1-5H3,(H,30,31)/t20?,22-/m0/s1.

What are the key properties of 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide?

1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(dimethylamino)-N-[(1S)-1-[6-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-3-pyridinyl]-2,2,2-trifluoroethyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 175988364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).