2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide

C18H17F3N4O2S — CID 130244798

About 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide

2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 130244798) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 130244798
• Molecular Formula: C18H17F3N4O2S
• Molecular Weight: 410.42 g/mol
• Exact Mass: 410.10
• IUPAC Name: 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
• SMILES: CC(NC(=O)C1CC1c1nc2ncccc2[nH]1)c1ccc(OCC(F)(F)F)s1
• InChI: InChI=1S/C18H17F3N4O2S/c1-9(13-4-5-14(28-13)27-8-18(19,20)21)23-17(26)11-7-10(11)15-24-12-3-2-6-22-16(12)25-15/h2-6,9-11H,7-8H2,1H3,(H,23,26)(H,22,24,25)
• InChIKey: XBSAQVXICYEYGO-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.42
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide (CID 130244798) is 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1CC1c1nc2ncccc2[nH]1)c1ccc(OCC(F)(F)F)s1.

What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is XBSAQVXICYEYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-9(13-4-5-14(28-13)27-8-18(19,20)21)23-17(26)11-7-10(11)15-24-12-3-2-6-22-16(12)25-15/h2-6,9-11H,7-8H2,1H3,(H,23,26)(H,22,24,25).

What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 410.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 130244798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).