N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide

C40H35F2N5O5 — CID 137391438

About N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide

N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 137391438) has the molecular formula C40H35F2N5O5 and a molecular weight of 703.75 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide
• PubChem CID: 137391438
• Molecular Formula: C40H35F2N5O5
• Molecular Weight: 703.75 g/mol
• Exact Mass: 703.26
• IUPAC Name: N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4cc(C(=O)Nc5c(F)cccc5F)oc4-c4ccccc43)cc2)c(N2CC3(CCOCC3)C2)n1
• InChI: InChI=1S/C40H35F2N5O5/c1-24-9-14-29(36(43-24)46-22-40(23-46)16-19-51-20-17-40)37(48)44-27-12-10-25(11-13-27)39(50)47-18-15-26-21-33(52-35(26)28-5-2-3-8-32(28)47)38(49)45-34-30(41)6-4-7-31(34)42/h2-14,21H,15-20,22-23H2,1H3,(H,44,48)(H,45,49)
• InChIKey: OSENDGWFDMDCMW-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 117.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.75
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide?

The IUPAC name of N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide (CID 137391438) is N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide.

What is the SMILES notation for N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide?

The canonical SMILES for N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCc4cc(C(=O)Nc5c(F)cccc5F)oc4-c4ccccc43)cc2)c(N2CC3(CCOCC3)C2)n1.

What is the InChIKey of N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide?

The InChIKey is OSENDGWFDMDCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35F2N5O5/c1-24-9-14-29(36(43-24)46-22-40(23-46)16-19-51-20-17-40)37(48)44-27-12-10-25(11-13-27)39(50)47-18-15-26-21-33(52-35(26)28-5-2-3-8-32(28)47)38(49)45-34-30(41)6-4-7-31(34)42/h2-14,21H,15-20,22-23H2,1H3,(H,44,48)(H,45,49).

What are the key properties of N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide?

N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 703.75 g/mol, XLogP of 7.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-6-[4-[[6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 137391438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).