tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide

C40H35F2N9O6 — CID 159642854

About tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide

tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 159642854) has the molecular formula C40H35F2N9O6 and a molecular weight of 775.77 g/mol. Its IUPAC name is tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 159642854
• Molecular Formula: C40H35F2N9O6
• Molecular Weight: 775.77 g/mol
• Exact Mass: 775.27
• IUPAC Name: tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
• SMILES: CC(C)(C)OC(=O)NCc1noc(C2=CCc3ncccc32)n1.O=C(NCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2cc(F)cc(F)c2)c1=O
• InChI: InChI=1S/C24H17F2N5O3.C16H18N4O3/c25-15-9-14(10-16(26)11-15)13-31-8-2-4-19(24(31)33)22(32)28-12-21-29-23(34-30-21)18-5-6-20-17(18)3-1-7-27-20;1-16(2,3)22-15(21)18-9-13-19-14(23-20-13)11-6-7-12-10(11)5-4-8-17-12/h1-5,7-11H,6,12-13H2,(H,28,32);4-6,8H,7,9H2,1-3H3,(H,18,21)
• InChIKey: MQOPWKPYEKDZDI-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 193.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	775.77
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 159642854) is tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is CC(C)(C)OC(=O)NCc1noc(C2=CCc3ncccc32)n1.O=C(NCc1noc(C2=CCc3ncccc32)n1)c1cccn(Cc2cc(F)cc(F)c2)c1=O.

What is the InChIKey of tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is MQOPWKPYEKDZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O3.C16H18N4O3/c25-15-9-14(10-16(26)11-15)13-31-8-2-4-19(24(31)33)22(32)28-12-21-29-23(34-30-21)18-5-6-20-17(18)3-1-7-27-20;1-16(2,3)22-15(21)18-9-13-19-14(23-20-13)11-6-7-12-10(11)5-4-8-17-12/h1-5,7-11H,6,12-13H2,(H,28,32);4-6,8H,7,9H2,1-3H3,(H,18,21).

What are the key properties of tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?

tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 775.77 g/mol, XLogP of 5.35, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 159642854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).