1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide

C30H35F5N8O3 — CID 157047415

About 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide

1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide (PubChem CID 157047415) has the molecular formula C30H35F5N8O3 and a molecular weight of 650.65 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide
• PubChem CID: 157047415
• Molecular Formula: C30H35F5N8O3
• Molecular Weight: 650.65 g/mol
• Exact Mass: 650.28
• IUPAC Name: 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide
• SMILES: CN1CC[C@@H](Nc2cccc3c2cc(-c2noc(CNC(=O)c4cnn([C@H]5CCC[C@@H]5OCCF)c4)n2)n3CC(F)(F)F)[C@@H](F)C1
• InChI: InChI=1S/C30H35F5N8O3/c1-41-10-8-22(20(32)16-41)38-21-4-2-5-23-19(21)12-25(42(23)17-30(33,34)35)28-39-27(46-40-28)14-36-29(44)18-13-37-43(15-18)24-6-3-7-26(24)45-11-9-31/h2,4-5,12-13,15,20,22,24,26,38H,3,6-11,14,16-17H2,1H3,(H,36,44)/t20-,22+,24-,26-/m0/s1
• InChIKey: WBLJRCPNGQXEJB-YXOQKGKWSA-N
• XLogP: 4.91
• TPSA: 115.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.65
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide?

The IUPAC name of 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide (CID 157047415) is 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide is CN1CC[C@@H](Nc2cccc3c2cc(-c2noc(CNC(=O)c4cnn([C@H]5CCC[C@@H]5OCCF)c4)n2)n3CC(F)(F)F)[C@@H](F)C1.

What is the InChIKey of 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide?

The InChIKey is WBLJRCPNGQXEJB-YXOQKGKWSA-N. The full InChI is InChI=1S/C30H35F5N8O3/c1-41-10-8-22(20(32)16-41)38-21-4-2-5-23-19(21)12-25(42(23)17-30(33,34)35)28-39-27(46-40-28)14-36-29(44)18-13-37-43(15-18)24-6-3-7-26(24)45-11-9-31/h2,4-5,12-13,15,20,22,24,26,38H,3,6-11,14,16-17H2,1H3,(H,36,44)/t20-,22+,24-,26-/m0/s1.

What are the key properties of 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide?

1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 650.65 g/mol, XLogP of 4.91, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S,2S)-2-(2-fluoroethoxy)cyclopentyl]-N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 157047415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).