2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C24H29F2N3O2 — CID 178021483

IUPAC2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESNC(=O)c1nccc2[nH]c(C3CC4(CCC3C3CCCC(F)(F)CC3)CC4)cc(=O)c12
InChIInChI=1S/C24H29F2N3O2/c25-24(26)6-1-2-14(3-8-24)15-4-7-23(9-10-23)13-16(15)18-12-19(30)20-17(29-18)5-11-28-21(20)22(27)31/h5,11-12,14-16H,1-4,6-10,13H2,(H2,27,31)(H,29,30)
InChIKeyBBEVBGMFJGTJJH-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.90
Rot. Bonds3

About 2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 178021483) has the molecular formula C24H29F2N3O2 and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID178021483
Molecular FormulaC24H29F2N3O2
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESNC(=O)c1nccc2[nH]c(C3CC4(CCC3C3CCCC(F)(F)CC3)CC4)cc(=O)c12
InChIInChI=1S/C24H29F2N3O2/c25-24(26)6-1-2-14(3-8-24)15-4-7-23(9-10-23)13-16(15)18-12-19(30)20-17(29-18)5-11-28-21(20)22(27)31/h5,11-12,14-16H,1-4,6-10,13H2,(H2,27,31)(H,29,30)
InChIKeyBBEVBGMFJGTJJH-UHFFFAOYSA-N
XLogP4.90
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-2-(4,4-difluorocycloheptyl)-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021214
2-[2-[(1S)-4,4-difluorocycloheptyl]-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021533
2-[2-(4,4-difluorocycloheptyl)-5,5-dimethylcyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021429
2-[(1R,2S)-2-[(1R)-4,4-difluorocycloheptyl]cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021670
2-[(1R)-2-(4,4-difluorocyclohexyl)cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021093
2-[4-(4,4-difluorocyclohexyl)-3-bicyclo[4.1.0]heptanyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021669
2-[(2S)-5,5-difluoro-2-[4-(trifluoromethyl)cyclohexyl]cyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021151
2-[2-[(3aS,6aR)-5,5-difluoro-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pentalen-2-yl]-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021619
2-[(1R,2S)-2-cycloheptyl-5,5-difluorocyclohexyl]-N-methyl-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021425
2-[(4R)-2-cyclohexyl-4-ethyl-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021191
2-[(1S)-3,3-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;2,3-difluorophenol
CID 177193245
2-[2-[(3,3-difluorocyclobutyl)methyl]-5,5-difluorocyclohexyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 178021263

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 178021483) is 2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is NC(=O)c1nccc2[nH]c(C3CC4(CCC3C3CCCC(F)(F)CC3)CC4)cc(=O)c12.
What is the InChIKey of 2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is BBEVBGMFJGTJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O2/c25-24(26)6-1-2-14(3-8-24)15-4-7-23(9-10-23)13-16(15)18-12-19(30)20-17(29-18)5-11-28-21(20)22(27)31/h5,11-12,14-16H,1-4,6-10,13H2,(H2,27,31)(H,29,30).
What are the key properties of 2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,4-difluorocycloheptyl)spiro[2.5]octan-7-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 178021483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).