N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide

C16H13ClF6N6O2 — CID 90373176

IUPACN-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3nn(C(F)F)cc3Cl)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1
InChIInChI=1S/C16H13ClF6N6O2/c1-15(4-8(16(21,22)23)31-14(24)27-15)11-7(18)2-3-9(25-11)26-12(30)10-6(17)5-29(28-10)13(19)20/h2-3,5,8,13H,4H2,1H3,(H2,24,27)(H,25,26,30)/t8-,15+/m0/s1
InChIKeyQULLJJPMSGZADZ-VXJOIVPMSA-N
MW470.76 g/mol
LogP3.60
Rot. Bonds4

About N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide

N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 90373176) has the molecular formula C16H13ClF6N6O2 and a molecular weight of 470.76 g/mol. Its IUPAC name is N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID90373176
Molecular FormulaC16H13ClF6N6O2
Molecular Weight470.76 g/mol
Exact Mass470.07
IUPAC NameN-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3nn(C(F)F)cc3Cl)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1
InChIInChI=1S/C16H13ClF6N6O2/c1-15(4-8(16(21,22)23)31-14(24)27-15)11-7(18)2-3-9(25-11)26-12(30)10-6(17)5-29(28-10)13(19)20/h2-3,5,8,13H,4H2,1H3,(H2,24,27)(H,25,26,30)/t8-,15+/m0/s1
InChIKeyQULLJJPMSGZADZ-VXJOIVPMSA-N
XLogP3.60
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.76
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

2-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]ethanone
CID 159885125
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 90372797
N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 118877195
N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 86296222
N-[6-[(5R,6S)-3-amino-2,2,5-trimethyl-1-oxo-1λ6-thia-4,9-diazabicyclo[4.3.0]nona-1(9),3-dien-5-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 145058770
N-[3-[(7aS)-2-amino-4-(difluoromethyl)-6,6-difluoro-4a,5,7,7a-tetrahydrocyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 123656332
[(4S,6S)-4-[6-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamic acid
CID 118877170
2-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157079121
tert-butyl N-[(4S,6S)-4-[6-[(3-chloro-5-cyanopyridine-2-carbonyl)amino]-3-fluoro-2-pyridinyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-yl]carbamate
CID 140703582
N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 123238640
N-[6-[(4R,6R)-2-amino-4,6-dimethyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 126755346
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 71667731

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide (CID 90373176) is N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide is C[C@]1(c2nc(NC(=O)c3nn(C(F)F)cc3Cl)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1.
What is the InChIKey of N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is QULLJJPMSGZADZ-VXJOIVPMSA-N. The full InChI is InChI=1S/C16H13ClF6N6O2/c1-15(4-8(16(21,22)23)31-14(24)27-15)11-7(18)2-3-9(25-11)26-12(30)10-6(17)5-29(28-10)13(19)20/h2-3,5,8,13H,4H2,1H3,(H2,24,27)(H,25,26,30)/t8-,15+/m0/s1.
What are the key properties of N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide?
N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 470.76 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 90373176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).