ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine

C36H46F3N7O6S — CID 177160120

About ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine

ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine (PubChem CID 177160120) has the molecular formula C36H46F3N7O6S and a molecular weight of 761.87 g/mol. Its IUPAC name is ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine.

Molecular Properties

• Compound Name: ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine
• PubChem CID: 177160120
• Molecular Formula: C36H46F3N7O6S
• Molecular Weight: 761.87 g/mol
• Exact Mass: 761.32
• IUPAC Name: ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine
• SMILES: C=C(CCC(F)(F)F)NC.CC.CCc1c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)c2nc(C3=CCN(C=O)CC3)sc2n1CC=O
• InChI: InChI=1S/C28H30N6O6S.C6H10F3N.C2H6/c1-2-19-23(32-8-10-33(11-9-32)27(39)21-24(37)18-5-14-40-20(18)15-29-21)25(38)22-28(34(19)12-13-35)41-26(30-22)17-3-6-31(16-36)7-4-17;1-5(10-2)3-4-6(7,8)9;1-2/h3,13,15-16,37H,2,4-12,14H2,1H3;10H,1,3-4H2,2H3;1-2H3
• InChIKey: WFVAOHFHWMQWEC-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 150.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.87
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine?

The IUPAC name of ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine (CID 177160120) is ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine.

What is the SMILES notation for ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine?

The canonical SMILES for ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine is C=C(CCC(F)(F)F)NC.CC.CCc1c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)c2nc(C3=CCN(C=O)CC3)sc2n1CC=O.

What is the InChIKey of ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine?

The InChIKey is WFVAOHFHWMQWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O6S.C6H10F3N.C2H6/c1-2-19-23(32-8-10-33(11-9-32)27(39)21-24(37)18-5-14-40-20(18)15-29-21)25(38)22-28(34(19)12-13-35)41-26(30-22)17-3-6-31(16-36)7-4-17;1-5(10-2)3-4-6(7,8)9;1-2/h3,13,15-16,37H,2,4-12,14H2,1H3;10H,1,3-4H2,2H3;1-2H3.

What are the key properties of ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine?

ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine has a molecular weight of 761.87 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-[5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-4-(2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carbaldehyde;5,5,5-trifluoro-N-methylpent-1-en-2-amine is sourced from PubChem (CID 177160120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).