ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate

C27H35F3N6O2 — CID 134340988

About ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate

ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 134340988) has the molecular formula C27H35F3N6O2 and a molecular weight of 532.61 g/mol. Its IUPAC name is ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate
• PubChem CID: 134340988
• Molecular Formula: C27H35F3N6O2
• Molecular Weight: 532.61 g/mol
• Exact Mass: 532.28
• IUPAC Name: ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate
• SMILES: CCOC(=O)c1cc2c(-c3ccnc(N(C)C)c3)ncn2c(N(CC)C2CCN(CC(F)(F)F)CC2)c1C
• InChI: InChI=1S/C27H35F3N6O2/c1-6-35(20-9-12-34(13-10-20)16-27(28,29)30)25-18(3)21(26(37)38-7-2)15-22-24(32-17-36(22)25)19-8-11-31-23(14-19)33(4)5/h8,11,14-15,17,20H,6-7,9-10,12-13,16H2,1-5H3
• InChIKey: FAKQGUNBFRKLSC-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 66.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate?

The IUPAC name of ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate (CID 134340988) is ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate.

What is the SMILES notation for ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate?

The canonical SMILES for ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate is CCOC(=O)c1cc2c(-c3ccnc(N(C)C)c3)ncn2c(N(CC)C2CCN(CC(F)(F)F)CC2)c1C.

What is the InChIKey of ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate?

The InChIKey is FAKQGUNBFRKLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N6O2/c1-6-35(20-9-12-34(13-10-20)16-27(28,29)30)25-18(3)21(26(37)38-7-2)15-22-24(32-17-36(22)25)19-8-11-31-23(14-19)33(4)5/h8,11,14-15,17,20H,6-7,9-10,12-13,16H2,1-5H3.

What are the key properties of ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate?

ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 532.61 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 134340988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).