(1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate

C34H44F3N7O4S — CID 67289296

About (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate

(1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate (PubChem CID 67289296) has the molecular formula C34H44F3N7O4S and a molecular weight of 703.83 g/mol. Its IUPAC name is (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate.

Molecular Properties

• Compound Name: (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate
• PubChem CID: 67289296
• Molecular Formula: C34H44F3N7O4S
• Molecular Weight: 703.83 g/mol
• Exact Mass: 703.31
• IUPAC Name: (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate
• SMILES: CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(C(=O)OC3CCN(C(C)C)CC3)cnc2OC2CCN(C(C)C)CC2)cn1
• InChI: InChI=1S/C34H44F3N7O4S/c1-6-38-33(46)42-29-16-26(31-41-28(19-49-31)34(35,36)37)27(18-39-29)25-15-22(32(45)48-24-9-13-44(14-10-24)21(4)5)17-40-30(25)47-23-7-11-43(12-8-23)20(2)3/h15-21,23-24H,6-14H2,1-5H3,(H2,38,39,42,46)
• InChIKey: VEXIPHWOJDTRMQ-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 121.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.83
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate?

The IUPAC name of (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate (CID 67289296) is (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate.

What is the SMILES notation for (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate?

The canonical SMILES for (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(C(=O)OC3CCN(C(C)C)CC3)cnc2OC2CCN(C(C)C)CC2)cn1.

What is the InChIKey of (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate?

The InChIKey is VEXIPHWOJDTRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44F3N7O4S/c1-6-38-33(46)42-29-16-26(31-41-28(19-49-31)34(35,36)37)27(18-39-29)25-15-22(32(45)48-24-9-13-44(14-10-24)21(4)5)17-40-30(25)47-23-7-11-43(12-8-23)20(2)3/h15-21,23-24H,6-14H2,1-5H3,(H2,38,39,42,46).

What are the key properties of (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate?

(1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate has a molecular weight of 703.83 g/mol, XLogP of 6.71, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1-propan-2-ylpiperidin-4-yl) 5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carboxylate is sourced from PubChem (CID 67289296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).