5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C28H29FN6O4 — CID 175682623

About 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682623) has the molecular formula C28H29FN6O4 and a molecular weight of 532.58 g/mol. Its IUPAC name is 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 175682623
• Molecular Formula: C28H29FN6O4
• Molecular Weight: 532.58 g/mol
• Exact Mass: 532.22
• IUPAC Name: 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn2ccc(N3CC4(COC(C)(C)OC4)C3)cc12
• InChI: InChI=1S/C28H29FN6O4/c1-16-4-5-17(24-32-26(39-33-24)19-10-21(19)29)8-22(16)31-25(36)20-11-30-35-7-6-18(9-23(20)35)34-12-28(13-34)14-37-27(2,3)38-15-28/h4-9,11,19,21H,10,12-15H2,1-3H3,(H,31,36)/t19-,21-/m0/s1
• InChIKey: HDLUITZTHTVCMT-FPOVZHCZSA-N
• XLogP: 4.36
• TPSA: 107.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.58
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 175682623) is 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn2ccc(N3CC4(COC(C)(C)OC4)C3)cc12.

What is the InChIKey of 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is HDLUITZTHTVCMT-FPOVZHCZSA-N. The full InChI is InChI=1S/C28H29FN6O4/c1-16-4-5-17(24-32-26(39-33-24)19-10-21(19)29)8-22(16)31-25(36)20-11-30-35-7-6-18(9-23(20)35)34-12-28(13-34)14-37-27(2,3)38-15-28/h4-9,11,19,21H,10,12-15H2,1-3H3,(H,31,36)/t19-,21-/m0/s1.

What are the key properties of 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 532.58 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).