N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide

C17H18F3N3O2 — CID 67234566

IUPACN-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)C3CC3(F)F)ccc2F)N=C(N)OCC12CC2
InChIInChI=1S/C17H18F3N3O2/c1-15(16(4-5-16)8-25-14(21)23-15)10-6-9(2-3-12(10)18)22-13(24)11-7-17(11,19)20/h2-3,6,11H,4-5,7-8H2,1H3,(H2,21,23)(H,22,24)/t11?,15-/m0/s1
InChIKeyPAKOFGAHBZPDCF-MHTVFEQDSA-N
MW353.34 g/mol
LogP2.76
Rot. Bonds3

About N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide

N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 67234566) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID67234566
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)C3CC3(F)F)ccc2F)N=C(N)OCC12CC2
InChIInChI=1S/C17H18F3N3O2/c1-15(16(4-5-16)8-25-14(21)23-15)10-6-9(2-3-12(10)18)22-13(24)11-7-17(11,19)20/h2-3,6,11H,4-5,7-8H2,1H3,(H2,21,23)(H,22,24)/t11?,15-/m0/s1
InChIKeyPAKOFGAHBZPDCF-MHTVFEQDSA-N
XLogP2.76
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 53241006
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide
CID 53241934
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 67233228
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 67232798
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 67234953
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloropyridine-2-carboxamide
CID 53241711
2-[3-[(8S)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone
CID 58304283
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3,5-dichloropyrazine-2-carboxamide
CID 57480381
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3-(furan-2-yl)prop-2-enamide
CID 67233464
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 53241206
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethoxypyridine-2-carboxamide
CID 71305034
N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 66558934

Frequently Asked Questions

What is the IUPAC name of N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide (CID 67234566) is N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide is C[C@@]1(c2cc(NC(=O)C3CC3(F)F)ccc2F)N=C(N)OCC12CC2.
What is the InChIKey of N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is PAKOFGAHBZPDCF-MHTVFEQDSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-15(16(4-5-16)8-25-14(21)23-15)10-6-9(2-3-12(10)18)22-13(24)11-7-17(11,19)20/h2-3,6,11H,4-5,7-8H2,1H3,(H2,21,23)(H,22,24)/t11?,15-/m0/s1.
What are the key properties of N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide?
N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(8R)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 67234566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).