2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide

C26H29FN4O3 — CID 153315607

IUPAC2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide
SMILESCC(C(=O)Nc1cnn(C2CCOCC2)c1)C1C2CC(Oc3ccnc4ccc(F)cc34)CC21
InChIInChI=1S/C26H29FN4O3/c1-15(26(32)30-17-13-29-31(14-17)18-5-8-33-9-6-18)25-20-11-19(12-21(20)25)34-24-4-7-28-23-3-2-16(27)10-22(23)24/h2-4,7,10,13-15,18-21,25H,5-6,8-9,11-12H2,1H3,(H,30,32)
InChIKeyYUIXHCKPBXPPRI-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.60
Rot. Bonds6

About 2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide

2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide (PubChem CID 153315607) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide
PubChem CID153315607
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide
SMILESCC(C(=O)Nc1cnn(C2CCOCC2)c1)C1C2CC(Oc3ccnc4ccc(F)cc34)CC21
InChIInChI=1S/C26H29FN4O3/c1-15(26(32)30-17-13-29-31(14-17)18-5-8-33-9-6-18)25-20-11-19(12-21(20)25)34-24-4-7-28-23-3-2-16(27)10-22(23)24/h2-4,7,10,13-15,18-21,25H,5-6,8-9,11-12H2,1H3,(H,30,32)
InChIKeyYUIXHCKPBXPPRI-UHFFFAOYSA-N
XLogP4.60
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
CID 146318421
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(trifluoromethyl)pyrrol-3-yl]propanamide
CID 156541893
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 146318501
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[3-(3-methylpyrrol-1-yl)-1-bicyclo[1.1.1]pentanyl]propanamide
CID 148843944
2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)butanamide
CID 146318407
2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]-N-(5-methyl-2-pyridinyl)propanamide
CID 153395535
1-[(1S,3R,6R,7S)-3-(6-fluoroquinolin-4-yl)oxy-7-bicyclo[4.1.0]heptanyl]ethanone
CID 156541889
2-cyclopropyl-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]-N-(5-methylpyrazin-2-yl)acetamide
CID 153395564
N-(6-cyanopyridazin-3-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide
CID 146318533
3,4,5-triethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597650
6-fluoro-4-[[(1R,5S)-6-[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]-3-bicyclo[3.1.0]hexanyl]oxy]quinoline
CID 146318473
N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide
CID 130219664

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide (CID 153315607) is 2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide is CC(C(=O)Nc1cnn(C2CCOCC2)c1)C1C2CC(Oc3ccnc4ccc(F)cc34)CC21.
What is the InChIKey of 2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
The InChIKey is YUIXHCKPBXPPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-15(26(32)30-17-13-29-31(14-17)18-5-8-33-9-6-18)25-20-11-19(12-21(20)25)34-24-4-7-28-23-3-2-16(27)10-22(23)24/h2-4,7,10,13-15,18-21,25H,5-6,8-9,11-12H2,1H3,(H,30,32).
What are the key properties of 2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide has a molecular weight of 464.54 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 153315607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).